1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one

C29H34F3N5O2 — CID 160552515

IUPAC1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one
SMILESCc1cc2c(cn1)C(C[C@H]1CN(C3CCOC3)CC1CC(=O)CNc1n[nH]c3ccc(C(F)(F)F)cc13)CC2
InChIInChI=1S/C29H34F3N5O2/c1-17-8-18-2-3-19(26(18)13-33-17)9-20-14-37(23-6-7-39-16-23)15-21(20)10-24(38)12-34-28-25-11-22(29(30,31)32)4-5-27(25)35-36-28/h4-5,8,11,13,19-21,23H,2-3,6-7,9-10,12,14-16H2,1H3,(H2,34,35,36)/t19?,20-,21?,23?/m0/s1
InChIKeyQYGJVMPXIYJITB-PCTQUHOJSA-N
MW541.62 g/mol
LogP5.11
Rot. Bonds8

About 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one

1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one (PubChem CID 160552515) has the molecular formula C29H34F3N5O2 and a molecular weight of 541.62 g/mol. Its IUPAC name is 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one
PubChem CID160552515
Molecular FormulaC29H34F3N5O2
Molecular Weight541.62 g/mol
Exact Mass541.27
IUPAC Name1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one
SMILESCc1cc2c(cn1)C(C[C@H]1CN(C3CCOC3)CC1CC(=O)CNc1n[nH]c3ccc(C(F)(F)F)cc13)CC2
InChIInChI=1S/C29H34F3N5O2/c1-17-8-18-2-3-19(26(18)13-33-17)9-20-14-37(23-6-7-39-16-23)15-21(20)10-24(38)12-34-28-25-11-22(29(30,31)32)4-5-27(25)35-36-28/h4-5,8,11,13,19-21,23H,2-3,6-7,9-10,12,14-16H2,1H3,(H2,34,35,36)/t19?,20-,21?,23?/m0/s1
InChIKeyQYGJVMPXIYJITB-PCTQUHOJSA-N
XLogP5.11
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.62
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one?
The IUPAC name of 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one (CID 160552515) is 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one.
What is the SMILES notation for 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one?
The canonical SMILES for 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one is Cc1cc2c(cn1)C(C[C@H]1CN(C3CCOC3)CC1CC(=O)CNc1n[nH]c3ccc(C(F)(F)F)cc13)CC2.
What is the InChIKey of 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one?
The InChIKey is QYGJVMPXIYJITB-PCTQUHOJSA-N. The full InChI is InChI=1S/C29H34F3N5O2/c1-17-8-18-2-3-19(26(18)13-33-17)9-20-14-37(23-6-7-39-16-23)15-21(20)10-24(38)12-34-28-25-11-22(29(30,31)32)4-5-27(25)35-36-28/h4-5,8,11,13,19-21,23H,2-3,6-7,9-10,12,14-16H2,1H3,(H2,34,35,36)/t19?,20-,21?,23?/m0/s1.
What are the key properties of 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one?
1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one has a molecular weight of 541.62 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[(3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]-3-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]propan-2-one is sourced from PubChem (CID 160552515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).