3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide

C21H18ClN5O2 — CID 127047176

IUPAC3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide
SMILESNc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1
InChIInChI=1S/C21H18ClN5O2/c22-15-3-1-2-12(8-15)18(11-28)25-21(29)14-4-5-17-16(9-14)20(27-26-17)13-6-7-24-19(23)10-13/h1-10,18,28H,11H2,(H2,23,24)(H,25,29)(H,26,27)
InChIKeyDIJMZIXDGKPCOI-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.32
Rot. Bonds5

About 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide

3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide (PubChem CID 127047176) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide
PubChem CID127047176
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide
SMILESNc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1
InChIInChI=1S/C21H18ClN5O2/c22-15-3-1-2-12(8-15)18(11-28)25-21(29)14-4-5-17-16(9-14)20(27-26-17)13-6-7-24-19(23)10-13/h1-10,18,28H,11H2,(H2,23,24)(H,25,29)(H,26,27)
InChIKeyDIJMZIXDGKPCOI-UHFFFAOYSA-N
XLogP3.32
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyridin-3-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045490
4-[2-amino-5-[1-(difluoromethyl)-5-methylpyrazol-4-yl]pyridin-3-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045570
4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045726
4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045750
4-[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045806
(S)-4-(3-amino-6-(1,3-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118045815
4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046056
4-[2-amino-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046779
N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045928
N-[1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045929
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045930
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045931

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide (CID 127047176) is 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide is Nc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1.
What is the InChIKey of 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide?
The InChIKey is DIJMZIXDGKPCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-15-3-1-2-12(8-15)18(11-28)25-21(29)14-4-5-17-16(9-14)20(27-26-17)13-6-7-24-19(23)10-13/h1-10,18,28H,11H2,(H2,23,24)(H,25,29)(H,26,27).
What are the key properties of 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide?
3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 3.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).