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

C32H31F2N5O2 — CID 156829530

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(O)c4F)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C32H31F2N5O2/c1-18-26-10-9-22(32(41)37-16-23(33)13-24(35)17-37)15-39(26)36-31(18)28-12-21-8-7-20(25-3-2-4-29(40)30(25)34)11-27(21)38(28)14-19-5-6-19/h2-4,7-12,15,19,23-24,40H,5-6,13-14,16-17,35H2,1H3/t23-,24-/m1/s1
InChIKeyQKEOGPVMLXQGKG-DNQXCXABSA-N
MW555.63 g/mol
LogP5.70
Rot. Bonds5

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

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829530) has the molecular formula C32H31F2N5O2 and a molecular weight of 555.63 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829530
Molecular FormulaC32H31F2N5O2
Molecular Weight555.63 g/mol
Exact Mass555.24
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(O)c4F)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C32H31F2N5O2/c1-18-26-10-9-22(32(41)37-16-23(33)13-24(35)17-37)15-39(26)36-31(18)28-12-21-8-7-20(25-3-2-4-29(40)30(25)34)11-27(21)38(28)14-19-5-6-19/h2-4,7-12,15,19,23-24,40H,5-6,13-14,16-17,35H2,1H3/t23-,24-/m1/s1
InChIKeyQKEOGPVMLXQGKG-DNQXCXABSA-N
XLogP5.70
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.63
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 177376819
N-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 177376820
N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 177376821
US12473304, Example 32
CID 156828797
US12473304, Example 94
CID 156828817
US12473304, Example 215
CID 156828859
US12473304, Example 531
CID 156828870
US12473304, Example 93
CID 156828904
US12473304, Example 375
CID 156828917
US12473304, Example 533
CID 156828937
US12473304, Example 449
CID 156828979
US12473304, Example 314
CID 156829056

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829530) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)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-(2-fluoro-3-hydroxyphenyl)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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4cccc(O)c4F)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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is QKEOGPVMLXQGKG-DNQXCXABSA-N. The full InChI is InChI=1S/C32H31F2N5O2/c1-18-26-10-9-22(32(41)37-16-23(33)13-24(35)17-37)15-39(26)36-31(18)28-12-21-8-7-20(25-3-2-4-29(40)30(25)34)11-27(21)38(28)14-19-5-6-19/h2-4,7-12,15,19,23-24,40H,5-6,13-14,16-17,35H2,1H3/t23-,24-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 555.63 g/mol, XLogP of 5.70, 5 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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).