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

C23H28N8O — CID 90949063

IUPAC1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESO=C(Nc1ccc2cnc(N(c3ccccc3)N3CCNCC3)nc2n1)NC1CCCC1
InChIInChI=1S/C23H28N8O/c32-23(26-18-6-4-5-7-18)28-20-11-10-17-16-25-22(29-21(17)27-20)31(19-8-2-1-3-9-19)30-14-12-24-13-15-30/h1-3,8-11,16,18,24H,4-7,12-15H2,(H2,25,26,27,28,29,32)
InChIKeyHLWUXOJSSMRXII-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.05
Rot. Bonds5

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

1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 90949063) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
PubChem CID90949063
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESO=C(Nc1ccc2cnc(N(c3ccccc3)N3CCNCC3)nc2n1)NC1CCCC1
InChIInChI=1S/C23H28N8O/c32-23(26-18-6-4-5-7-18)28-20-11-10-17-16-25-22(29-21(17)27-20)31(19-8-2-1-3-9-19)30-14-12-24-13-15-30/h1-3,8-11,16,18,24H,4-7,12-15H2,(H2,25,26,27,28,29,32)
InChIKeyHLWUXOJSSMRXII-UHFFFAOYSA-N
XLogP3.05
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-cyclohexyl-1-methyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 91540927
[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 70111699
1-cyclopentyl-3-pyrido[2,3-d]pyrimidin-7-ylurea
CID 141037409
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 70815017
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (CID 90949063) is 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is O=C(Nc1ccc2cnc(N(c3ccccc3)N3CCNCC3)nc2n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The InChIKey is HLWUXOJSSMRXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c32-23(26-18-6-4-5-7-18)28-20-11-10-17-16-25-22(29-21(17)27-20)31(19-8-2-1-3-9-19)30-14-12-24-13-15-30/h1-3,8-11,16,18,24H,4-7,12-15H2,(H2,25,26,27,28,29,32).
What are the key properties of 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 432.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 90949063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).