1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea

C25H25N7O3 — CID 121249604

IUPAC1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea
SMILESCc1ccoc1NC(=O)Nc1cccc(-n2ccc(C)c(N3CCc4nc(N)ncc4C3)c2=O)c1
InChIInChI=1S/C25H25N7O3/c1-15-6-10-32(23(33)21(15)31-9-7-20-17(14-31)13-27-24(26)29-20)19-5-3-4-18(12-19)28-25(34)30-22-16(2)8-11-35-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,26,27,29)(H2,28,30,34)
InChIKeyNTXLLWWWTFCZFP-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.63
Rot. Bonds4

About 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea

1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea (PubChem CID 121249604) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea.

Molecular Properties

Compound Name1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea
PubChem CID121249604
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea
SMILESCc1ccoc1NC(=O)Nc1cccc(-n2ccc(C)c(N3CCc4nc(N)ncc4C3)c2=O)c1
InChIInChI=1S/C25H25N7O3/c1-15-6-10-32(23(33)21(15)31-9-7-20-17(14-31)13-27-24(26)29-20)19-5-3-4-18(12-19)28-25(34)30-22-16(2)8-11-35-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,26,27,29)(H2,28,30,34)
InChIKeyNTXLLWWWTFCZFP-UHFFFAOYSA-N
XLogP3.63
TPSA131.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea?
The IUPAC name of 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea (CID 121249604) is 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea.
What is the SMILES notation for 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea?
The canonical SMILES for 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea is Cc1ccoc1NC(=O)Nc1cccc(-n2ccc(C)c(N3CCc4nc(N)ncc4C3)c2=O)c1.
What is the InChIKey of 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea?
The InChIKey is NTXLLWWWTFCZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-15-6-10-32(23(33)21(15)31-9-7-20-17(14-31)13-27-24(26)29-20)19-5-3-4-18(12-19)28-25(34)30-22-16(2)8-11-35-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,26,27,29)(H2,28,30,34).
What are the key properties of 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea?
1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea has a molecular weight of 471.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-(3-methylfuran-2-yl)urea is sourced from PubChem (CID 121249604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).