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

C32H33FN6O2 — CID 156829295

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(O)cccc1-c1ccc2cc(-c3nn4cc(C(=O)N5CCC[C@@H](N)C5)cc(F)c4c3C)n(CC3CC3)c2n1
InChIInChI=1S/C32H33FN6O2/c1-18-24(6-3-7-28(18)40)26-11-10-21-14-27(38(31(21)35-26)15-20-8-9-20)29-19(2)30-25(33)13-22(16-39(30)36-29)32(41)37-12-4-5-23(34)17-37/h3,6-7,10-11,13-14,16,20,23,40H,4-5,8-9,12,15,17,34H2,1-2H3/t23-/m1/s1
InChIKeySBFWUBVOOZHDBQ-HSZRJFAPSA-N
MW552.65 g/mol
LogP5.45
Rot. Bonds5

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

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829295) has the molecular formula C32H33FN6O2 and a molecular weight of 552.65 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)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-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829295
Molecular FormulaC32H33FN6O2
Molecular Weight552.65 g/mol
Exact Mass552.26
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(O)cccc1-c1ccc2cc(-c3nn4cc(C(=O)N5CCC[C@@H](N)C5)cc(F)c4c3C)n(CC3CC3)c2n1
InChIInChI=1S/C32H33FN6O2/c1-18-24(6-3-7-28(18)40)26-11-10-21-14-27(38(31(21)35-26)15-20-8-9-20)29-19(2)30-25(33)13-22(16-39(30)36-29)32(41)37-12-4-5-23(34)17-37/h3,6-7,10-11,13-14,16,20,23,40H,4-5,8-9,12,15,17,34H2,1-2H3/t23-/m1/s1
InChIKeySBFWUBVOOZHDBQ-HSZRJFAPSA-N
XLogP5.45
TPSA101.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)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-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)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-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829295) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)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-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)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-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(O)cccc1-c1ccc2cc(-c3nn4cc(C(=O)N5CCC[C@@H](N)C5)cc(F)c4c3C)n(CC3CC3)c2n1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is SBFWUBVOOZHDBQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H33FN6O2/c1-18-24(6-3-7-28(18)40)26-11-10-21-14-27(38(31(21)35-26)15-20-8-9-20)29-19(2)30-25(33)13-22(16-39(30)36-29)32(41)37-12-4-5-23(34)17-37/h3,6-7,10-11,13-14,16,20,23,40H,4-5,8-9,12,15,17,34H2,1-2H3/t23-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 552.65 g/mol, XLogP of 5.45, 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-[1-(cyclopropylmethyl)-6-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).