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

C22H17ClN6O2 — CID 138559774

IUPACN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESO=C(N[C@H](CO)c1cccc(Cl)c1)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1
InChIInChI=1S/C22H17ClN6O2/c23-14-3-1-2-13(8-14)19(11-30)27-22(31)21-25-17-9-15-16(10-18(17)26-21)28-29-20(15)12-4-6-24-7-5-12/h1-10,19,28-30H,11H2,(H,27,31)/t19-/m1/s1
InChIKeyLAMHVFALHSDNIO-LJQANCHMSA-N
MW432.87 g/mol
LogP3.62
Rot. Bonds5

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

N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138559774) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID138559774
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC NameN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESO=C(N[C@H](CO)c1cccc(Cl)c1)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1
InChIInChI=1S/C22H17ClN6O2/c23-14-3-1-2-13(8-14)19(11-30)27-22(31)21-25-17-9-15-16(10-18(17)26-21)28-29-20(15)12-4-6-24-7-5-12/h1-10,19,28-30H,11H2,(H,27,31)/t19-/m1/s1
InChIKeyLAMHVFALHSDNIO-LJQANCHMSA-N
XLogP3.62
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616338
N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616331
N-(1-methoxypropan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138573398
[[(1R)-1-(3-chlorophenyl)ethyl]amino]-(3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazol-6-yl)methanol
CID 155073594
N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616337
3-pyridin-4-yl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138573612
N-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138559739
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
CID 118879856
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide
CID 155166405
N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide
CID 155166406
6-benzylsulfonyl-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole
CID 155033170

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138559774) is N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is O=C(N[C@H](CO)c1cccc(Cl)c1)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is LAMHVFALHSDNIO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c23-14-3-1-2-13(8-14)19(11-30)27-22(31)21-25-17-9-15-16(10-18(17)26-21)28-29-20(15)12-4-6-24-7-5-12/h1-10,19,28-30H,11H2,(H,27,31)/t19-/m1/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 3.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138559774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).