[(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C31H30ClFN6O2 — CID 156829087

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(O)c4Cl)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C31H30ClFN6O2/c1-17-28(36-39-15-20(12-23(33)29(17)39)31(41)37-11-3-4-21(34)16-37)25-13-19-9-10-24(22-5-2-6-26(40)27(22)32)35-30(19)38(25)14-18-7-8-18/h2,5-6,9-10,12-13,15,18,21,40H,3-4,7-8,11,14,16,34H2,1H3/t21-/m1/s1
InChIKeyIJLJUQZPTWRFBL-OAQYLSRUSA-N
MW573.07 g/mol
LogP5.80
Rot. Bonds5

About [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829087) has the molecular formula C31H30ClFN6O2 and a molecular weight of 573.07 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829087
Molecular FormulaC31H30ClFN6O2
Molecular Weight573.07 g/mol
Exact Mass572.21
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(O)c4Cl)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C31H30ClFN6O2/c1-17-28(36-39-15-20(12-23(33)29(17)39)31(41)37-11-3-4-21(34)16-37)25-13-19-9-10-24(22-5-2-6-26(40)27(22)32)35-30(19)38(25)14-18-7-8-18/h2,5-6,9-10,12-13,15,18,21,40H,3-4,7-8,11,14,16,34H2,1H3/t21-/m1/s1
InChIKeyIJLJUQZPTWRFBL-OAQYLSRUSA-N
XLogP5.80
TPSA101.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.07
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-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)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829087) is [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4cccc(O)c4Cl)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is IJLJUQZPTWRFBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H30ClFN6O2/c1-17-28(36-39-15-20(12-23(33)29(17)39)31(41)37-11-3-4-21(34)16-37)25-13-19-9-10-24(22-5-2-6-26(40)27(22)32)35-30(19)38(25)14-18-7-8-18/h2,5-6,9-10,12-13,15,18,21,40H,3-4,7-8,11,14,16,34H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 573.07 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[6-(2-chloro-3-hydroxyphenyl)-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).