4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C19H16N6O3 — CID 130429979

IUPAC4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1cnc(-c2nn(C)c3ccccc23)nc1Nc1ccncc1C(=O)O
InChIInChI=1S/C19H16N6O3/c1-25-14-6-4-3-5-11(14)16(24-25)18-21-10-15(28-2)17(23-18)22-13-7-8-20-9-12(13)19(26)27/h3-10H,1-2H3,(H,26,27)(H,20,21,22,23)
InChIKeyUEQZAWSVWWZWHL-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.88
Rot. Bonds5

About 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 130429979) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID130429979
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1cnc(-c2nn(C)c3ccccc23)nc1Nc1ccncc1C(=O)O
InChIInChI=1S/C19H16N6O3/c1-25-14-6-4-3-5-11(14)16(24-25)18-21-10-15(28-2)17(23-18)22-13-7-8-20-9-12(13)19(26)27/h3-10H,1-2H3,(H,26,27)(H,20,21,22,23)
InChIKeyUEQZAWSVWWZWHL-UHFFFAOYSA-N
XLogP2.88
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
2-[1-(cyclopentylmethyl)indazol-3-yl]-5-methoxy-N-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 130430006
4-[[2-[4-chloro-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 86580733
4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 86764282
5-methoxy-2-[1-(3-methylbut-2-enyl)indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 130430073
1-[3,5-difluoro-4-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]ethanone
CID 86732438
2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide
CID 71554582
2-[3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]-2-methylpropanoic acid
CID 89487718
4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carbonitrile
CID 89487388
2-[1-[1-(2-fluorophenyl)ethyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 130430018
[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
CID 89488624
4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 163287152

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 130429979) is 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is COc1cnc(-c2nn(C)c3ccccc23)nc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is UEQZAWSVWWZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-25-14-6-4-3-5-11(14)16(24-25)18-21-10-15(28-2)17(23-18)22-13-7-8-20-9-12(13)19(26)27/h3-10H,1-2H3,(H,26,27)(H,20,21,22,23).
What are the key properties of 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 376.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 130429979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).