N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide

C26H26N8O2 — CID 155531665

IUPACN-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide
SMILESCOc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(C(=O)Nc4ccc(C)nc4C)cccc23)n1
InChIInChI=1S/C26H26N8O2/c1-14-11-28-26(31-21-13-34(4)33-25(21)36-5)32-22(14)19-12-27-23-17(19)7-6-8-18(23)24(35)30-20-10-9-15(2)29-16(20)3/h6-13,27H,1-5H3,(H,30,35)(H,28,31,32)
InChIKeyHLERYFGMPLDBRW-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.68
Rot. Bonds6

About N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide

N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide (PubChem CID 155531665) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide
PubChem CID155531665
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide
SMILESCOc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(C(=O)Nc4ccc(C)nc4C)cccc23)n1
InChIInChI=1S/C26H26N8O2/c1-14-11-28-26(31-21-13-34(4)33-25(21)36-5)32-22(14)19-12-27-23-17(19)7-6-8-18(23)24(35)30-20-10-9-15(2)29-16(20)3/h6-13,27H,1-5H3,(H,30,35)(H,28,31,32)
InChIKeyHLERYFGMPLDBRW-UHFFFAOYSA-N
XLogP4.68
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide (CID 155531665) is N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide is COc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(C(=O)Nc4ccc(C)nc4C)cccc23)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide?
The InChIKey is HLERYFGMPLDBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-14-11-28-26(31-21-13-34(4)33-25(21)36-5)32-22(14)19-12-27-23-17(19)7-6-8-18(23)24(35)30-20-10-9-15(2)29-16(20)3/h6-13,27H,1-5H3,(H,30,35)(H,28,31,32).
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide?
N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 155531665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).