[4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea

C22H27N5O3 — CID 70814636

IUPAC[4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea
SMILESCOC1CCN(c2nc(-c3ccc(NC(N)=O)cc3)nc3c2CCC2(CC2)O3)CC1
InChIInChI=1S/C22H27N5O3/c1-29-16-7-12-27(13-8-16)19-17-6-9-22(10-11-22)30-20(17)26-18(25-19)14-2-4-15(5-3-14)24-21(23)28/h2-5,16H,6-13H2,1H3,(H3,23,24,28)
InChIKeySMQDFVUTWMEWNI-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.11
Rot. Bonds4

About [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea

[4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea (PubChem CID 70814636) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea
PubChem CID70814636
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name[4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea
SMILESCOC1CCN(c2nc(-c3ccc(NC(N)=O)cc3)nc3c2CCC2(CC2)O3)CC1
InChIInChI=1S/C22H27N5O3/c1-29-16-7-12-27(13-8-16)19-17-6-9-22(10-11-22)30-20(17)26-18(25-19)14-2-4-15(5-3-14)24-21(23)28/h2-5,16H,6-13H2,1H3,(H3,23,24,28)
InChIKeySMQDFVUTWMEWNI-UHFFFAOYSA-N
XLogP3.11
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]-3-(oxetan-3-yl)urea
CID 59634474
[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 126734946
6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one
CID 59634463
[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 143794608
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
[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4-oxocyclohexyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 143794623
[4-[1-(1-benzoylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865060
[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67276619
1-cyclopropyl-3-[4-[1-(4-methoxycyclohexyl)-4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 66588962
1-cyclopropyl-3-[4-[1-(4-methoxycyclohexyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 57424565
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
tert-butyl 2-[4-(cyclobutylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 143935901

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea?
The IUPAC name of [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea (CID 70814636) is [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea.
What is the SMILES notation for [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea?
The canonical SMILES for [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea is COC1CCN(c2nc(-c3ccc(NC(N)=O)cc3)nc3c2CCC2(CC2)O3)CC1.
What is the InChIKey of [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea?
The InChIKey is SMQDFVUTWMEWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-29-16-7-12-27(13-8-16)19-17-6-9-22(10-11-22)30-20(17)26-18(25-19)14-2-4-15(5-3-14)24-21(23)28/h2-5,16H,6-13H2,1H3,(H3,23,24,28).
What are the key properties of [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea?
[4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea has a molecular weight of 409.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxypiperidin-1-yl)spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]phenyl]urea is sourced from PubChem (CID 70814636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).