1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea

C25H32N8O — CID 91540927

IUPAC1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCN(C(=O)Nc1ccc2cnc(N(c3ccccc3)N3CCNCC3)nc2n1)C1CCCCC1
InChIInChI=1S/C25H32N8O/c1-31(20-8-4-2-5-9-20)25(34)29-22-13-12-19-18-27-24(30-23(19)28-22)33(21-10-6-3-7-11-21)32-16-14-26-15-17-32/h3,6-7,10-13,18,20,26H,2,4-5,8-9,14-17H2,1H3,(H,27,28,29,30,34)
InChIKeyLRXVAOJOBQCPAD-UHFFFAOYSA-N
MW460.59 g/mol
LogP3.78
Rot. Bonds5

About 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea

1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 91540927) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
PubChem CID91540927
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCN(C(=O)Nc1ccc2cnc(N(c3ccccc3)N3CCNCC3)nc2n1)C1CCCCC1
InChIInChI=1S/C25H32N8O/c1-31(20-8-4-2-5-9-20)25(34)29-22-13-12-19-18-27-24(30-23(19)28-22)33(21-10-6-3-7-11-21)32-16-14-26-15-17-32/h3,6-7,10-13,18,20,26H,2,4-5,8-9,14-17H2,1H3,(H,27,28,29,30,34)
InChIKeyLRXVAOJOBQCPAD-UHFFFAOYSA-N
XLogP3.78
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea with MolForge

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Related Compounds

[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 70111699
[2-[4-fluoro-3-[methyl(pyridin-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid;piperidine
CID 178147264
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
CID 124626898
1-cyclohexyl-1-methyl-3-quinolin-7-ylurea
CID 69259812
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (CID 91540927) is 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is CN(C(=O)Nc1ccc2cnc(N(c3ccccc3)N3CCNCC3)nc2n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The InChIKey is LRXVAOJOBQCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O/c1-31(20-8-4-2-5-9-20)25(34)29-22-13-12-19-18-27-24(30-23(19)28-22)33(21-10-6-3-7-11-21)32-16-14-26-15-17-32/h3,6-7,10-13,18,20,26H,2,4-5,8-9,14-17H2,1H3,(H,27,28,29,30,34).
What are the key properties of 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 460.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 91540927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).