N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

C20H16N8O — CID 138560140

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCc1nccc(CNC(=O)c2nc3cc4[nH][nH]c(-c5ccncc5)c4cc3n2)n1
InChIInChI=1S/C20H16N8O/c1-11-22-7-4-13(24-11)10-23-20(29)19-25-16-8-14-15(9-17(16)26-19)27-28-18(14)12-2-5-21-6-3-12/h2-9,27-28H,10H2,1H3,(H,23,29)
InChIKeyPPLGUHFSTSBZDG-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.53
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138560140) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID138560140
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCc1nccc(CNC(=O)c2nc3cc4[nH][nH]c(-c5ccncc5)c4cc3n2)n1
InChIInChI=1S/C20H16N8O/c1-11-22-7-4-13(24-11)10-23-20(29)19-25-16-8-14-15(9-17(16)26-19)27-28-18(14)12-2-5-21-6-3-12/h2-9,27-28H,10H2,1H3,(H,23,29)
InChIKeyPPLGUHFSTSBZDG-UHFFFAOYSA-N
XLogP2.53
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138559739
N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616331
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81255907
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81226586
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 55046845
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138560140) is N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is Cc1nccc(CNC(=O)c2nc3cc4[nH][nH]c(-c5ccncc5)c4cc3n2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is PPLGUHFSTSBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-11-22-7-4-13(24-11)10-23-20(29)19-25-16-8-14-15(9-17(16)26-19)27-28-18(14)12-2-5-21-6-3-12/h2-9,27-28H,10H2,1H3,(H,23,29).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138560140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).