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

C22H24N6O — CID 138559882

IUPACN-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)C1CCCCC1
InChIInChI=1S/C22H24N6O/c1-13(14-5-3-2-4-6-14)24-22(29)21-25-18-11-16-17(12-19(18)26-21)27-28-20(16)15-7-9-23-10-8-15/h7-14,27-28H,2-6H2,1H3,(H,24,29)/t13-/m1/s1
InChIKeyLRBAHRCMXMEHIR-CYBMUJFWSA-N
MW388.48 g/mol
LogP4.20
Rot. Bonds4

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

N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138559882) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID138559882
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)C1CCCCC1
InChIInChI=1S/C22H24N6O/c1-13(14-5-3-2-4-6-14)24-22(29)21-25-18-11-16-17(12-19(18)26-21)27-28-20(16)15-7-9-23-10-8-15/h7-14,27-28H,2-6H2,1H3,(H,24,29)/t13-/m1/s1
InChIKeyLRBAHRCMXMEHIR-CYBMUJFWSA-N
XLogP4.20
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138559882) is N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is C[C@@H](NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is LRBAHRCMXMEHIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13(14-5-3-2-4-6-14)24-22(29)21-25-18-11-16-17(12-19(18)26-21)27-28-20(16)15-7-9-23-10-8-15/h7-14,27-28H,2-6H2,1H3,(H,24,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138559882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).