[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C32H32N8O — CID 156829248

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc5[nH]ncc5c4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12
InChIInChI=1S/C32H32N8O/c1-19-28-11-8-23(32(41)38-12-2-3-25(33)18-38)17-40(28)37-30(19)29-14-22-7-9-26(35-31(22)39(29)16-20-4-5-20)21-6-10-27-24(13-21)15-34-36-27/h6-11,13-15,17,20,25H,2-5,12,16,18,33H2,1H3,(H,34,36)/t25-/m1/s1
InChIKeyWBRUNYRTKJTTSR-RUZDIDTESA-N
MW544.66 g/mol
LogP5.18
Rot. Bonds5

About [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829248) has the molecular formula C32H32N8O and a molecular weight of 544.66 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829248
Molecular FormulaC32H32N8O
Molecular Weight544.66 g/mol
Exact Mass544.27
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc5[nH]ncc5c4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12
InChIInChI=1S/C32H32N8O/c1-19-28-11-8-23(32(41)38-12-2-3-25(33)18-38)17-40(28)37-30(19)29-14-22-7-9-26(35-31(22)39(29)16-20-4-5-20)21-6-10-27-24(13-21)15-34-36-27/h6-11,13-15,17,20,25H,2-5,12,16,18,33H2,1H3,(H,34,36)/t25-/m1/s1
InChIKeyWBRUNYRTKJTTSR-RUZDIDTESA-N
XLogP5.18
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829248) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4ccc5[nH]ncc5c4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is WBRUNYRTKJTTSR-RUZDIDTESA-N. The full InChI is InChI=1S/C32H32N8O/c1-19-28-11-8-23(32(41)38-12-2-3-25(33)18-38)17-40(28)37-30(19)29-14-22-7-9-26(35-31(22)39(29)16-20-4-5-20)21-6-10-27-24(13-21)15-34-36-27/h6-11,13-15,17,20,25H,2-5,12,16,18,33H2,1H3,(H,34,36)/t25-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 544.66 g/mol, XLogP of 5.18, 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-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).