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

C33H34FN5O2 — CID 156829507

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(CO)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H34FN5O2/c1-20-29-10-9-26(33(41)37-17-27(34)14-28(35)18-37)16-39(29)36-32(20)31-13-25-8-7-24(23-4-2-3-22(11-23)19-40)12-30(25)38(31)15-21-5-6-21/h2-4,7-13,16,21,27-28,40H,5-6,14-15,17-19,35H2,1H3/t27-,28-/m1/s1
InChIKeyCYDWYVLIGIMJDE-VSGBNLITSA-N
MW551.67 g/mol
LogP5.35
Rot. Bonds6

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

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829507) has the molecular formula C33H34FN5O2 and a molecular weight of 551.67 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]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)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829507
Molecular FormulaC33H34FN5O2
Molecular Weight551.67 g/mol
Exact Mass551.27
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(CO)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H34FN5O2/c1-20-29-10-9-26(33(41)37-17-27(34)14-28(35)18-37)16-39(29)36-32(20)31-13-25-8-7-24(23-4-2-3-22(11-23)19-40)12-30(25)38(31)15-21-5-6-21/h2-4,7-13,16,21,27-28,40H,5-6,14-15,17-19,35H2,1H3/t27-,28-/m1/s1
InChIKeyCYDWYVLIGIMJDE-VSGBNLITSA-N
XLogP5.35
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]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)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829507) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]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)-6-[3-(hydroxymethyl)phenyl]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)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4cccc(CO)c4)cc3n2CC2CC2)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)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is CYDWYVLIGIMJDE-VSGBNLITSA-N. The full InChI is InChI=1S/C33H34FN5O2/c1-20-29-10-9-26(33(41)37-17-27(34)14-28(35)18-37)16-39(29)36-32(20)31-13-25-8-7-24(23-4-2-3-22(11-23)19-40)12-30(25)38(31)15-21-5-6-21/h2-4,7-13,16,21,27-28,40H,5-6,14-15,17-19,35H2,1H3/t27-,28-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 551.67 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).