4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine

C87H91F15N30O2 — CID 167657908

About 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine

4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine (PubChem CID 167657908) has the molecular formula C87H91F15N30O2 and a molecular weight of 1873.86 g/mol. Its IUPAC name is 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine.

Molecular Properties

• Compound Name: 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
• PubChem CID: 167657908
• Molecular Formula: C87H91F15N30O2
• Molecular Weight: 1873.86 g/mol
• Exact Mass: 1872.77
• IUPAC Name: 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
• SMILES: Cc1nc(N[C@@H]2CCc3c2cnn3Cc2ccc(C(F)(F)F)nc2)nc2c1NC(=O)C(C(C)C)N2C.Cc1nc(N[C@H]2CCc3c2cnn3Cc2ccc(C(F)(F)F)nc2)nc2c1NC(=O)[C@H](C(C)C)N2C.NC1CCc2c1cnn2Cc1ccc(C(F)(F)F)nc1.NC1CCc2nn(Cc3ccc(C(F)(F)F)nc3)cc21.[N-]=[N+]=NC1CCc2nn(Cc3ccc(C(F)(F)F)nc3)cc21
• InChI: InChI=1S/2C24H27F3N8O.C13H11F3N6.2C13H13F3N4/c2*1-12(2)20-22(36)32-19-13(3)30-23(33-21(19)34(20)4)31-16-6-7-17-15(16)10-29-35(17)11-14-5-8-18(28-9-14)24(25,26)27;14-13(15,16)12-4-1-8(5-18-12)6-22-7-9-10(19-21-17)2-3-11(9)20-22;14-13(15,16)12-4-1-8(5-18-12)7-20-11-3-2-10(17)9(11)6-19-20;14-13(15,16)12-4-1-8(5-18-12)6-20-7-9-10(17)2-3-11(9)19-20/h2*5,8-10,12,16,20H,6-7,11H2,1-4H3,(H,32,36)(H,30,31,33);1,4-5,7,10H,2-3,6H2;1,4-6,10H,2-3,7,17H2;1,4-5,7,10H,2-3,6,17H2/t16-,20?;16-,20-;;;/m10.../s1
• InChIKey: RNMBHMMTZQZSHT-KCTQOUIYSA-N
• XLogP: 16.14
• TPSA: 394.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1873.86
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?

The IUPAC name of 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine (CID 167657908) is 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine.

What is the SMILES notation for 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?

The canonical SMILES for 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine is Cc1nc(N[C@@H]2CCc3c2cnn3Cc2ccc(C(F)(F)F)nc2)nc2c1NC(=O)C(C(C)C)N2C.Cc1nc(N[C@H]2CCc3c2cnn3Cc2ccc(C(F)(F)F)nc2)nc2c1NC(=O)[C@H](C(C)C)N2C.NC1CCc2c1cnn2Cc1ccc(C(F)(F)F)nc1.NC1CCc2nn(Cc3ccc(C(F)(F)F)nc3)cc21.[N-]=[N+]=NC1CCc2nn(Cc3ccc(C(F)(F)F)nc3)cc21.

What is the InChIKey of 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?

The InChIKey is RNMBHMMTZQZSHT-KCTQOUIYSA-N. The full InChI is InChI=1S/2C24H27F3N8O.C13H11F3N6.2C13H13F3N4/c2*1-12(2)20-22(36)32-19-13(3)30-23(33-21(19)34(20)4)31-16-6-7-17-15(16)10-29-35(17)11-14-5-8-18(28-9-14)24(25,26)27;14-13(15,16)12-4-1-8(5-18-12)6-22-7-9-10(19-21-17)2-3-11(9)20-22;14-13(15,16)12-4-1-8(5-18-12)7-20-11-3-2-10(17)9(11)6-19-20;14-13(15,16)12-4-1-8(5-18-12)6-20-7-9-10(17)2-3-11(9)19-20/h2*5,8-10,12,16,20H,6-7,11H2,1-4H3,(H,32,36)(H,30,31,33);1,4-5,7,10H,2-3,6H2;1,4-6,10H,2-3,7,17H2;1,4-5,7,10H,2-3,6,17H2/t16-,20?;16-,20-;;;/m10.../s1.

What are the key properties of 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?

4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine has a molecular weight of 1873.86 g/mol, XLogP of 16.14, 17 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-azido-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,8-dimethyl-7-propan-2-yl-2-[[(4S)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one;2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine is sourced from PubChem (CID 167657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).