4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one

C25H22N6O3 — CID 89495446

IUPAC4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one
SMILESCOc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc32)cc1
InChIInChI=1S/C25H22N6O3/c1-33-18-9-7-16(8-10-18)15-31-20-6-4-3-5-19(20)23(30-31)25-27-14-21(34-2)24(29-25)28-17-11-12-26-22(32)13-17/h3-14H,15H2,1-2H3,(H2,26,27,28,29,32)
InChIKeyGJWAVHLXZMTRDC-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.99
Rot. Bonds7

About 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one

4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one (PubChem CID 89495446) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one
PubChem CID89495446
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one
SMILESCOc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc32)cc1
InChIInChI=1S/C25H22N6O3/c1-33-18-9-7-16(8-10-18)15-31-20-6-4-3-5-19(20)23(30-31)25-27-14-21(34-2)24(29-25)28-17-11-12-26-22(32)13-17/h3-14H,15H2,1-2H3,(H2,26,27,28,29,32)
InChIKeyGJWAVHLXZMTRDC-UHFFFAOYSA-N
XLogP3.99
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one (CID 89495446) is 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one is COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc32)cc1.
What is the InChIKey of 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?
The InChIKey is GJWAVHLXZMTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-33-18-9-7-16(8-10-18)15-31-20-6-4-3-5-19(20)23(30-31)25-27-14-21(34-2)24(29-25)28-17-11-12-26-22(32)13-17/h3-14H,15H2,1-2H3,(H2,26,27,28,29,32).
What are the key properties of 4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one?
4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 454.49 g/mol, XLogP of 3.99, 7 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-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 89495446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).