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

C18H18N6O2 — CID 138573398

IUPACN-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCOCC(C)NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1
InChIInChI=1S/C18H18N6O2/c1-10(9-26-2)20-18(25)17-21-14-7-12-13(8-15(14)22-17)23-24-16(12)11-3-5-19-6-4-11/h3-8,10,23-24H,9H2,1-2H3,(H,20,25)
InChIKeyKUPMWLIDCYUMOT-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.27
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138573398) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID138573398
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCOCC(C)NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1
InChIInChI=1S/C18H18N6O2/c1-10(9-26-2)20-18(25)17-21-14-7-12-13(8-15(14)22-17)23-24-16(12)11-3-5-19-6-4-11/h3-8,10,23-24H,9H2,1-2H3,(H,20,25)
InChIKeyKUPMWLIDCYUMOT-UHFFFAOYSA-N
XLogP2.27
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138573398) is N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is COCC(C)NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is KUPMWLIDCYUMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10(9-26-2)20-18(25)17-21-14-7-12-13(8-15(14)22-17)23-24-16(12)11-3-5-19-6-4-11/h3-8,10,23-24H,9H2,1-2H3,(H,20,25).
What are the key properties of N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138573398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).