3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide

C22H23N7O — CID 170346796

IUPAC3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1nc(-c2cccnc2NC(C)C)cc(C(N)=O)c1N
InChIInChI=1S/C22H23N7O/c1-11(2)27-22-13(5-4-8-25-22)17-9-14(21(24)30)19(23)20(28-17)18-12(3)6-7-16-15(18)10-26-29-16/h4-11H,23H2,1-3H3,(H2,24,30)(H,25,27)(H,26,29)
InChIKeyXHQIHCBTDIKZTL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.50
Rot. Bonds5

About 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide

3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 170346796) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID170346796
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1nc(-c2cccnc2NC(C)C)cc(C(N)=O)c1N
InChIInChI=1S/C22H23N7O/c1-11(2)27-22-13(5-4-8-25-22)17-9-14(21(24)30)19(23)20(28-17)18-12(3)6-7-16-15(18)10-26-29-16/h4-11H,23H2,1-3H3,(H2,24,30)(H,25,27)(H,26,29)
InChIKeyXHQIHCBTDIKZTL-UHFFFAOYSA-N
XLogP3.50
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide with MolForge

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Related Compounds

5-amino-2-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-3-fluoro-6-(5-methyl-1H-indazol-4-yl)pyridine-4-carboxamide
CID 170346548
7-amino-8-(5-methyl-1H-indazol-4-yl)-[1]benzofuro[3,2-b]pyridine-6-carboxamide
CID 170346672
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 177283645
3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283736
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283580
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
CID 177042905
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide (CID 170346796) is 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide is Cc1ccc2[nH]ncc2c1-c1nc(-c2cccnc2NC(C)C)cc(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is XHQIHCBTDIKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-11(2)27-22-13(5-4-8-25-22)17-9-14(21(24)30)19(23)20(28-17)18-12(3)6-7-16-15(18)10-26-29-16/h4-11H,23H2,1-3H3,(H2,24,30)(H,25,27)(H,26,29).
What are the key properties of 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide?
3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 170346796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).