1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea

C23H29N7O3 — CID 70234277

IUPAC1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)C2(N)CC2)C3)cc1
InChIInChI=1S/C23H29N7O3/c1-25-22(32)26-16-4-2-15(3-5-16)19-27-18-14-30(21(31)23(24)7-8-23)9-6-17(18)20(28-19)29-10-12-33-13-11-29/h2-5H,6-14,24H2,1H3,(H2,25,26,32)
InChIKeyPTGPGXMYYFWVJO-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.11
Rot. Bonds4

About 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea

1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea (PubChem CID 70234277) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea
PubChem CID70234277
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)C2(N)CC2)C3)cc1
InChIInChI=1S/C23H29N7O3/c1-25-22(32)26-16-4-2-15(3-5-16)19-27-18-14-30(21(31)23(24)7-8-23)9-6-17(18)20(28-19)29-10-12-33-13-11-29/h2-5H,6-14,24H2,1H3,(H2,25,26,32)
InChIKeyPTGPGXMYYFWVJO-UHFFFAOYSA-N
XLogP1.11
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea with MolForge

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Related Compounds

N-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 46913264
1-methyl-3-[4-(4-morpholin-4-ylspiro[5H-furo[3,4-d]pyrimidine-7,1'-cyclopropane]-2-yl)phenyl]urea
CID 58118659
1-(2-fluoroethyl)-3-[4-[7-(2-hydroxy-2-methylpropanoyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 143936133
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-[7-(5-methylfuran-2-carbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239382
methyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59239136
1-[4-(6-acetyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936129
tert-butyl 2-[4-(cyclobutylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 143935901
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-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
1-methyl-3-[4-(4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-2-yl)phenyl]urea
CID 137467722

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea (CID 70234277) is 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)C2(N)CC2)C3)cc1.
What is the InChIKey of 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea?
The InChIKey is PTGPGXMYYFWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-25-22(32)26-16-4-2-15(3-5-16)19-27-18-14-30(21(31)23(24)7-8-23)9-6-17(18)20(28-19)29-10-12-33-13-11-29/h2-5H,6-14,24H2,1H3,(H2,25,26,32).
What are the key properties of 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea?
1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea has a molecular weight of 451.53 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(1-aminocyclopropanecarbonyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-methylurea is sourced from PubChem (CID 70234277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).