1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea

C31H30N8O3 — CID 161161749

IUPAC1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cnn(C)c5)cc4n3)cc2)cc1
InChIInChI=1S/C31H30N8O3/c1-20(40)15-21-3-7-25(8-4-21)34-31(41)35-26-9-5-22(6-10-26)29-36-27-16-23(24-18-33-38(2)19-24)17-32-28(27)30(37-29)39-11-13-42-14-12-39/h3-10,16-19H,11-15H2,1-2H3,(H2,34,35,41)
InChIKeyUPZXMFIQVHBVKF-UHFFFAOYSA-N
MW562.63 g/mol
LogP4.70
Rot. Bonds7

About 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea

1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea (PubChem CID 161161749) has the molecular formula C31H30N8O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
PubChem CID161161749
Molecular FormulaC31H30N8O3
Molecular Weight562.63 g/mol
Exact Mass562.24
IUPAC Name1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cnn(C)c5)cc4n3)cc2)cc1
InChIInChI=1S/C31H30N8O3/c1-20(40)15-21-3-7-25(8-4-21)34-31(41)35-26-9-5-22(6-10-26)29-36-27-16-23(24-18-33-38(2)19-24)17-32-28(27)30(37-29)39-11-13-42-14-12-39/h3-10,16-19H,11-15H2,1-2H3,(H2,34,35,41)
InChIKeyUPZXMFIQVHBVKF-UHFFFAOYSA-N
XLogP4.70
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea with MolForge

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Related Compounds

1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120
1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 149122832
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 159675177
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 57335758
4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57334276
N-[2-fluoro-4-[[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514333
1-[2-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-[5-(1-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]urea
CID 146750282
N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67515503
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
3-fluoro-N,N-dimethyl-4-[[4-(4-morpholin-4-yl-7-pyrimidin-5-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 67516087
N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The IUPAC name of 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea (CID 161161749) is 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea.
What is the SMILES notation for 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The canonical SMILES for 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea is CC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cnn(C)c5)cc4n3)cc2)cc1.
What is the InChIKey of 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The InChIKey is UPZXMFIQVHBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O3/c1-20(40)15-21-3-7-25(8-4-21)34-31(41)35-26-9-5-22(6-10-26)29-36-27-16-23(24-18-33-38(2)19-24)17-32-28(27)30(37-29)39-11-13-42-14-12-39/h3-10,16-19H,11-15H2,1-2H3,(H2,34,35,41).
What are the key properties of 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea has a molecular weight of 562.63 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea is sourced from PubChem (CID 161161749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).