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

C19H16N8O — CID 138559739

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCn1cc(CNC(=O)c2nc3cc4[nH][nH]c(-c5ccncc5)c4cc3n2)cn1
InChIInChI=1S/C19H16N8O/c1-27-10-11(9-22-27)8-21-19(28)18-23-15-6-13-14(7-16(15)24-18)25-26-17(13)12-2-4-20-5-3-12/h2-7,9-10,25-26H,8H2,1H3,(H,21,28)
InChIKeyCNIOUVPTDKKPRC-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.16
Rot. Bonds4

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

N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138559739) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID138559739
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCn1cc(CNC(=O)c2nc3cc4[nH][nH]c(-c5ccncc5)c4cc3n2)cn1
InChIInChI=1S/C19H16N8O/c1-27-10-11(9-22-27)8-21-19(28)18-23-15-6-13-14(7-16(15)24-18)25-26-17(13)12-2-4-20-5-3-12/h2-7,9-10,25-26H,8H2,1H3,(H,21,28)
InChIKeyCNIOUVPTDKKPRC-UHFFFAOYSA-N
XLogP2.16
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138559739) is N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is Cn1cc(CNC(=O)c2nc3cc4[nH][nH]c(-c5ccncc5)c4cc3n2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is CNIOUVPTDKKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-27-10-11(9-22-27)8-21-19(28)18-23-15-6-13-14(7-16(15)24-18)25-26-17(13)12-2-4-20-5-3-12/h2-7,9-10,25-26H,8H2,1H3,(H,21,28).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138559739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).