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N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

C30H32N6O — CID 156778038

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCN1CCC(Cn2cc3cc(-c4cnc5[nH]cc(-c6ccc(C(=O)N(C)C)cc6)c5c4)ccc3n2)CC1
InChIInChI=1S/C30H32N6O/c1-34(2)30(37)22-6-4-21(5-7-22)27-17-32-29-26(27)15-24(16-31-29)23-8-9-28-25(14-23)19-36(33-28)18-20-10-12-35(3)13-11-20/h4-9,14-17,19-20H,10-13,18H2,1-3H3,(H,31,32)
InChIKeyRFSQAEBGLHJVKB-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.29
Rot. Bonds5

About N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 156778038) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
PubChem CID156778038
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC NameN,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCN1CCC(Cn2cc3cc(-c4cnc5[nH]cc(-c6ccc(C(=O)N(C)C)cc6)c5c4)ccc3n2)CC1
InChIInChI=1S/C30H32N6O/c1-34(2)30(37)22-6-4-21(5-7-22)27-17-32-29-26(27)15-24(16-31-29)23-8-9-28-25(14-23)19-36(33-28)18-20-10-12-35(3)13-11-20/h4-9,14-17,19-20H,10-13,18H2,1-3H3,(H,31,32)
InChIKeyRFSQAEBGLHJVKB-UHFFFAOYSA-N
XLogP5.29
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 156778038) is N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is CN1CCC(Cn2cc3cc(-c4cnc5[nH]cc(-c6ccc(C(=O)N(C)C)cc6)c5c4)ccc3n2)CC1.
What is the InChIKey of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is RFSQAEBGLHJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-34(2)30(37)22-6-4-21(5-7-22)27-17-32-29-26(27)15-24(16-31-29)23-8-9-28-25(14-23)19-36(33-28)18-20-10-12-35(3)13-11-20/h4-9,14-17,19-20H,10-13,18H2,1-3H3,(H,31,32).
What are the key properties of N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 492.63 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[2-[(1-methylpiperidin-4-yl)methyl]indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 156778038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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