1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea

C21H17F2N7O2 — CID 118712009

IUPAC1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H17F2N7O2/c1-10-14-5-11(8-25-18(14)30-20(24)27-10)12-6-17(19(32-2)26-9-12)29-21(31)28-16-4-3-13(22)7-15(16)23/h3-9H,1-2H3,(H2,28,29,31)(H2,24,25,27,30)
InChIKeyQTOFQMJDWYBGNU-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.91
Rot. Bonds4

About 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea

1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea (PubChem CID 118712009) has the molecular formula C21H17F2N7O2 and a molecular weight of 437.41 g/mol. Its IUPAC name is 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea
PubChem CID118712009
Molecular FormulaC21H17F2N7O2
Molecular Weight437.41 g/mol
Exact Mass437.14
IUPAC Name1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H17F2N7O2/c1-10-14-5-11(8-25-18(14)30-20(24)27-10)12-6-17(19(32-2)26-9-12)29-21(31)28-16-4-3-13(22)7-15(16)23/h3-9H,1-2H3,(H2,28,29,31)(H2,24,25,27,30)
InChIKeyQTOFQMJDWYBGNU-UHFFFAOYSA-N
XLogP3.91
TPSA127.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 472848
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CID 472852
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CID 45486497
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CID 54580295
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CID 122178110
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CID 122178113
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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea (CID 118712009) is 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is QTOFQMJDWYBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O2/c1-10-14-5-11(8-25-18(14)30-20(24)27-10)12-6-17(19(32-2)26-9-12)29-21(31)28-16-4-3-13(22)7-15(16)23/h3-9H,1-2H3,(H2,28,29,31)(H2,24,25,27,30).
What are the key properties of 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 437.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 118712009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).