4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine

C18H23N7O — CID 46215124

IUPAC4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCNc1nc(-c2cc(OC)c3c(N)n[nH]c3c2)cc(N2CCC[C@H]2C)n1
InChIInChI=1S/C18H23N7O/c1-10-5-4-6-25(10)15-9-12(21-18(20-2)22-15)11-7-13-16(14(8-11)26-3)17(19)24-23-13/h7-10H,4-6H2,1-3H3,(H3,19,23,24)(H,20,21,22)/t10-/m1/s1
InChIKeyXQCNEAAHIWVBLC-SNVBAGLBSA-N
MW353.43 g/mol
LogP2.64
Rot. Bonds4

About 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine

4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 46215124) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID46215124
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCNc1nc(-c2cc(OC)c3c(N)n[nH]c3c2)cc(N2CCC[C@H]2C)n1
InChIInChI=1S/C18H23N7O/c1-10-5-4-6-25(10)15-9-12(21-18(20-2)22-15)11-7-13-16(14(8-11)26-3)17(19)24-23-13/h7-10H,4-6H2,1-3H3,(H3,19,23,24)(H,20,21,22)/t10-/m1/s1
InChIKeyXQCNEAAHIWVBLC-SNVBAGLBSA-N
XLogP2.64
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-[6-(3-amino-4-methoxy-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 58504563
6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
CID 58504699
4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 58504789
2-ethoxy-6-fluoro-4-[2-(methylamino)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]benzonitrile
CID 76807029
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
CID 58504676
6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
CID 75150958
(3S,6S)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide
CID 73265231
(3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-6-methylpiperidine-3-carboxamide
CID 46215297
4,5-dimethoxy-2-(2-methylpyrrolidin-1-yl)aniline
CID 83001444
(2S)-4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 118273263
4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 90848853
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
CID 70886740

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 46215124) is 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine is CNc1nc(-c2cc(OC)c3c(N)n[nH]c3c2)cc(N2CCC[C@H]2C)n1.
What is the InChIKey of 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is XQCNEAAHIWVBLC-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H23N7O/c1-10-5-4-6-25(10)15-9-12(21-18(20-2)22-15)11-7-13-16(14(8-11)26-3)17(19)24-23-13/h7-10H,4-6H2,1-3H3,(H3,19,23,24)(H,20,21,22)/t10-/m1/s1.
What are the key properties of 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 353.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 46215124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).