methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate

C15H15N5O2 — CID 177042905

IUPACmethyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(-c2c(C)ccc3[nH]ncc23)c1N
InChIInChI=1S/C15H15N5O2/c1-7-3-4-10-8(6-19-20-10)11(7)9-5-18-14(17)12(13(9)16)15(21)22-2/h3-6H,1-2H3,(H,19,20)(H4,16,17,18)
InChIKeyJKLRMJNINGZTHP-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.88
Rot. Bonds2

About methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate

methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate (PubChem CID 177042905) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
PubChem CID177042905
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Namemethyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(-c2c(C)ccc3[nH]ncc23)c1N
InChIInChI=1S/C15H15N5O2/c1-7-3-4-10-8(6-19-20-10)11(7)9-5-18-14(17)12(13(9)16)15(21)22-2/h3-6H,1-2H3,(H,19,20)(H4,16,17,18)
InChIKeyJKLRMJNINGZTHP-UHFFFAOYSA-N
XLogP1.88
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
7-amino-8-(5-methyl-1H-indazol-4-yl)-[1]benzofuro[3,2-b]pyridine-6-carboxamide
CID 170346672
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
methyl 4-amino-5-(4-amino-6-chloro-5-methoxycarbonyl-3-pyridinyl)-2-chloropyridine-3-carboxylate
CID 177042722
3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 170346796
methyl 4-amino-5-bromo-1H-indazole-6-carboxylate
CID 142345968
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide
CID 177283739
3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283444
methyl 4-methyl-6-oxo-1H-pyridazine-5-carboxylate
CID 74890468
5-methoxy-1H-indazol-4-amine
CID 76845989
methyl 4-oxo-1H-cinnoline-6-carboxylate
CID 67119550

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate (CID 177042905) is methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate is COC(=O)c1c(N)ncc(-c2c(C)ccc3[nH]ncc23)c1N.
What is the InChIKey of methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?
The InChIKey is JKLRMJNINGZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-7-3-4-10-8(6-19-20-10)11(7)9-5-18-14(17)12(13(9)16)15(21)22-2/h3-6H,1-2H3,(H,19,20)(H4,16,17,18).
What are the key properties of methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?
methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 177042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).