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

C32H31F2N5O2 — CID 156828817

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C32H31F2N5O2/c1-18-27-8-6-23(32(41)37-16-24(33)13-25(35)17-37)15-39(27)36-31(18)29-12-22-5-4-21(20-7-9-30(40)26(34)10-20)11-28(22)38(29)14-19-2-3-19/h4-12,15,19,24-25,40H,2-3,13-14,16-17,35H2,1H3/t24-,25-/m1/s1
InChIKeyJGSQWICXEUDAFK-JWQCQUIFSA-N
MW555.63 g/mol
LogP5.70
Rot. Bonds5

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-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-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156828817) 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-(3-fluoro-4-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-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156828817
Molecular FormulaC32H31F2N5O2
Molecular Weight555.63 g/mol
Exact Mass555.24
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C32H31F2N5O2/c1-18-27-8-6-23(32(41)37-16-24(33)13-25(35)17-37)15-39(27)36-31(18)29-12-22-5-4-21(20-7-9-30(40)26(34)10-20)11-28(22)38(29)14-19-2-3-19/h4-12,15,19,24-25,40H,2-3,13-14,16-17,35H2,1H3/t24-,25-/m1/s1
InChIKeyJGSQWICXEUDAFK-JWQCQUIFSA-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-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Related Compounds

2-fluoro-4-(3-fluoro-4-hydroxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705271
US20240150334, Example 43
CID 171469092
US20240150334, Example 36
CID 171469287
US20240150334, Example 49
CID 171503794
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
US12358907, Example 84
CID 154598069
US12473304, Example 32
CID 156828797
US12473304, Example 215
CID 156828859
US12473304, Example 93
CID 156828904
US12473304, Example 375
CID 156828917

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-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-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156828817) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-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-(3-fluoro-4-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-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4ccc(O)c(F)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-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is JGSQWICXEUDAFK-JWQCQUIFSA-N. The full InChI is InChI=1S/C32H31F2N5O2/c1-18-27-8-6-23(32(41)37-16-24(33)13-25(35)17-37)15-39(27)36-31(18)29-12-22-5-4-21(20-7-9-30(40)26(34)10-20)11-28(22)38(29)14-19-2-3-19/h4-12,15,19,24-25,40H,2-3,13-14,16-17,35H2,1H3/t24-,25-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-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-(3-fluoro-4-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-(3-fluoro-4-hydroxyphenyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156828817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).