[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C31H35FN8O2 — CID 156829716

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccnc(OCCn4ccnc4C)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C31H35FN8O2/c1-19-26-6-5-23(31(41)38-17-24(32)14-25(33)18-38)16-40(26)36-28(19)27-13-22-7-8-35-30(29(22)39(27)15-21-3-4-21)42-12-11-37-10-9-34-20(37)2/h5-10,13,16,21,24-25H,3-4,11-12,14-15,17-18,33H2,1-2H3/t24-,25-/m1/s1
InChIKeyFTIUWGQCUFAGIV-JWQCQUIFSA-N
MW570.67 g/mol
LogP4.16
Rot. Bonds8

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829716) has the molecular formula C31H35FN8O2 and a molecular weight of 570.67 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829716
Molecular FormulaC31H35FN8O2
Molecular Weight570.67 g/mol
Exact Mass570.29
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccnc(OCCn4ccnc4C)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C31H35FN8O2/c1-19-26-6-5-23(31(41)38-17-24(32)14-25(33)18-38)16-40(26)36-28(19)27-13-22-7-8-35-30(29(22)39(27)15-21-3-4-21)42-12-11-37-10-9-34-20(37)2/h5-10,13,16,21,24-25H,3-4,11-12,14-15,17-18,33H2,1-2H3/t24-,25-/m1/s1
InChIKeyFTIUWGQCUFAGIV-JWQCQUIFSA-N
XLogP4.16
TPSA108.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.67
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829716) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccnc(OCCn4ccnc4C)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is FTIUWGQCUFAGIV-JWQCQUIFSA-N. The full InChI is InChI=1S/C31H35FN8O2/c1-19-26-6-5-23(31(41)38-17-24(32)14-25(33)18-38)16-40(26)36-28(19)27-13-22-7-8-35-30(29(22)39(27)15-21-3-4-21)42-12-11-37-10-9-34-20(37)2/h5-10,13,16,21,24-25H,3-4,11-12,14-15,17-18,33H2,1-2H3/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 570.67 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).