1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea

C22H32N6O2 — CID 122178091

IUPAC1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCC(NC(=O)NC4CCCC4)CC3)nc21
InChIInChI=1S/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)
InChIKeyFPOJVFPVFJTSDR-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea

1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea (PubChem CID 122178091) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
PubChem CID122178091
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCC(NC(=O)NC4CCCC4)CC3)nc21
InChIInChI=1S/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)
InChIKeyFPOJVFPVFJTSDR-UHFFFAOYSA-N
XLogP3.34
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea (CID 122178091) is 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea is CC(C)n1c(=O)ccc2cnc(NC3CCC(NC(=O)NC4CCCC4)CC3)nc21.
What is the InChIKey of 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The InChIKey is FPOJVFPVFJTSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30).
What are the key properties of 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea has a molecular weight of 412.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea is sourced from PubChem (CID 122178091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).