1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen

C26H33N7O3 — CID 143935992

IUPAC1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2ccccn2)CC3)cc1.[H][H].[H][H]
InChIInChI=1S/C26H29N7O3.2H2/c1-2-27-26(35)29-19-8-6-18(7-9-19)23-30-21-10-12-33(25(34)22-5-3-4-11-28-22)17-20(21)24(31-23)32-13-15-36-16-14-32;;/h3-9,11H,2,10,12-17H2,1H3,(H2,27,29,35);2*1H
InChIKeyUMAFLCFXPZDZFP-UHFFFAOYSA-N
MW491.60 g/mol
LogP3.21
Rot. Bonds5

About 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen

1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen (PubChem CID 143935992) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen.

Molecular Properties

Compound Name1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
PubChem CID143935992
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
SMILESCCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2ccccn2)CC3)cc1.[H][H].[H][H]
InChIInChI=1S/C26H29N7O3.2H2/c1-2-27-26(35)29-19-8-6-18(7-9-19)23-30-21-10-12-33(25(34)22-5-3-4-11-28-22)17-20(21)24(31-23)32-13-15-36-16-14-32;;/h3-9,11H,2,10,12-17H2,1H3,(H2,27,29,35);2*1H
InChIKeyUMAFLCFXPZDZFP-UHFFFAOYSA-N
XLogP3.21
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-acetyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936129
methyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59239136
N-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 46913264
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
1-[4-(7-benzyl-4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)phenyl]-3-ethylurea
CID 44814559
1-ethyl-3-[4-[7-(5-methylfuran-2-carbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239382
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239355
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 143935936
1-ethyl-3-[4-(7-methylsulfanyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143936009
1-ethyl-3-[4-[4-morpholin-4-yl-7-(4-morpholin-4-ylpyrimidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67176993
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67177064

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen?
The IUPAC name of 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen (CID 143935992) is 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen.
What is the SMILES notation for 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen?
The canonical SMILES for 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2ccccn2)CC3)cc1.[H][H].[H][H].
What is the InChIKey of 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen?
The InChIKey is UMAFLCFXPZDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3.2H2/c1-2-27-26(35)29-19-8-6-18(7-9-19)23-30-21-10-12-33(25(34)22-5-3-4-11-28-22)17-20(21)24(31-23)32-13-15-36-16-14-32;;/h3-9,11H,2,10,12-17H2,1H3,(H2,27,29,35);2*1H.
What are the key properties of 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen?
1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen has a molecular weight of 491.60 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[4-morpholin-4-yl-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea;molecular hydrogen is sourced from PubChem (CID 143935992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).