[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C31H34FN7O2 — CID 156829054

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3cccc(OCCn4ccnc4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C31H34FN7O2/c1-20-26-8-7-23(31(40)37-17-24(32)14-25(33)18-37)16-39(26)35-29(20)27-13-22-3-2-4-28(30(22)38(27)15-21-5-6-21)41-12-11-36-10-9-34-19-36/h2-4,7-10,13,16,19,21,24-25H,5-6,11-12,14-15,17-18,33H2,1H3/t24-,25-/m1/s1
InChIKeyZWMCVIZGYFDPSW-JWQCQUIFSA-N
MW555.66 g/mol
LogP4.46
Rot. Bonds8

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829054) has the molecular formula C31H34FN7O2 and a molecular weight of 555.66 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-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-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829054
Molecular FormulaC31H34FN7O2
Molecular Weight555.66 g/mol
Exact Mass555.28
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3cccc(OCCn4ccnc4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C31H34FN7O2/c1-20-26-8-7-23(31(40)37-17-24(32)14-25(33)18-37)16-39(26)35-29(20)27-13-22-3-2-4-28(30(22)38(27)15-21-5-6-21)41-12-11-36-10-9-34-19-36/h2-4,7-10,13,16,19,21,24-25H,5-6,11-12,14-15,17-18,33H2,1H3/t24-,25-/m1/s1
InChIKeyZWMCVIZGYFDPSW-JWQCQUIFSA-N
XLogP4.46
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-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-imidazol-1-ylethoxy)indol-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-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829054) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-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-imidazol-1-ylethoxy)indol-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-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3cccc(OCCn4ccnc4)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-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is ZWMCVIZGYFDPSW-JWQCQUIFSA-N. The full InChI is InChI=1S/C31H34FN7O2/c1-20-26-8-7-23(31(40)37-17-24(32)14-25(33)18-37)16-39(26)35-29(20)27-13-22-3-2-4-28(30(22)38(27)15-21-5-6-21)41-12-11-36-10-9-34-19-36/h2-4,7-10,13,16,19,21,24-25H,5-6,11-12,14-15,17-18,33H2,1H3/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 555.66 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-imidazol-1-ylethoxy)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).