(1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide

C25H26FN9O — CID 137425758

About (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide

(1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide (PubChem CID 137425758) has the molecular formula C25H26FN9O and a molecular weight of 487.54 g/mol. Its IUPAC name is (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide.

Molecular Properties

• Compound Name: (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide
• PubChem CID: 137425758
• Molecular Formula: C25H26FN9O
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.22
• IUPAC Name: (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc([C@@H]2C[C@]3(C(=O)N[C@@H](C)c4ccc(-n5cc(F)cn5)nc4)CC23)n1
• InChI: InChI=1S/C25H26FN9O/c1-13-6-20(31-21-7-14(2)33-34-21)32-23(29-13)18-8-25(9-19(18)25)24(36)30-15(3)16-4-5-22(27-10-16)35-12-17(26)11-28-35/h4-7,10-12,15,18-19H,8-9H2,1-3H3,(H,30,36)(H2,29,31,32,33,34)/t15-,18+,19?,25-/m0/s1
• InChIKey: PFWXGZSCENAPNG-TZEAHZMGSA-N
• XLogP: 3.65
• TPSA: 126.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide?

The IUPAC name of (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide (CID 137425758) is (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide.

What is the SMILES notation for (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide?

The canonical SMILES for (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc([C@@H]2C[C@]3(C(=O)N[C@@H](C)c4ccc(-n5cc(F)cn5)nc4)CC23)n1.

What is the InChIKey of (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide?

The InChIKey is PFWXGZSCENAPNG-TZEAHZMGSA-N. The full InChI is InChI=1S/C25H26FN9O/c1-13-6-20(31-21-7-14(2)33-34-21)32-23(29-13)18-8-25(9-19(18)25)24(36)30-15(3)16-4-5-22(27-10-16)35-12-17(26)11-28-35/h4-7,10-12,15,18-19H,8-9H2,1-3H3,(H,30,36)(H2,29,31,32,33,34)/t15-,18+,19?,25-/m0/s1.

What are the key properties of (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide?

(1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]bicyclo[2.1.0]pentane-1-carboxamide is sourced from PubChem (CID 137425758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).