[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C33H32ClF2N5O2 — CID 156828917

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cc(Cl)c(CO)cc4F)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H32ClF2N5O2/c1-18-29-7-6-22(33(43)39-15-24(35)11-25(37)16-39)14-41(29)38-32(18)31-10-21-5-4-20(9-30(21)40(31)13-19-2-3-19)26-12-27(34)23(17-42)8-28(26)36/h4-10,12,14,19,24-25,42H,2-3,11,13,15-17,37H2,1H3/t24-,25-/m1/s1
InChIKeyMEVOUKHUYPLOAP-JWQCQUIFSA-N
MW604.10 g/mol
LogP6.14
Rot. Bonds6

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156828917) has the molecular formula C33H32ClF2N5O2 and a molecular weight of 604.10 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)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-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156828917
Molecular FormulaC33H32ClF2N5O2
Molecular Weight604.10 g/mol
Exact Mass603.22
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cc(Cl)c(CO)cc4F)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H32ClF2N5O2/c1-18-29-7-6-22(33(43)39-15-24(35)11-25(37)16-39)14-41(29)38-32(18)31-10-21-5-4-20(9-30(21)40(31)13-19-2-3-19)26-12-27(34)23(17-42)8-28(26)36/h4-10,12,14,19,24-25,42H,2-3,11,13,15-17,37H2,1H3/t24-,25-/m1/s1
InChIKeyMEVOUKHUYPLOAP-JWQCQUIFSA-N
XLogP6.14
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.10
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Related Compounds

(2S,4R)-1-[2-(3-Acetyl-6-hydroxymethyl-indol-1-yl)-acetyl]-4-fluoro-pyrrolidine-2-carboxylic acid 3-chloro-2-fluoro-benzylamide
CID 68283978
3-acetyl-1-[2-[(1R,3S)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indole-6-carboxylic acid
CID 71042433
US10196354, Example 7D
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US12473304, Example 294
CID 156828756
US12473304, Example 94
CID 156828817
US12473304, Example 93
CID 156828904
US12473304, Example 377
CID 156829312
US12473304, Example 373
CID 156829376
US12473304, Example 372
CID 156829491
US12473304, Example 371
CID 156829507
US12473304, Example 92
CID 156829530
US12473304, Example 59
CID 156829621

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)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-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156828917) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)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-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)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-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4cc(Cl)c(CO)cc4F)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-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is MEVOUKHUYPLOAP-JWQCQUIFSA-N. The full InChI is InChI=1S/C33H32ClF2N5O2/c1-18-29-7-6-22(33(43)39-15-24(35)11-25(37)16-39)14-41(29)38-32(18)31-10-21-5-4-20(9-30(21)40(31)13-19-2-3-19)26-12-27(34)23(17-42)8-28(26)36/h4-10,12,14,19,24-25,42H,2-3,11,13,15-17,37H2,1H3/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 604.10 g/mol, XLogP of 6.14, 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-[6-[5-chloro-2-fluoro-4-(hydroxymethyl)phenyl]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156828917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).