1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea

C22H32N6O2 — CID 91754589

IUPAC1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)
InChIKeyQJPUIIKZKMYPSK-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.34
Rot. Bonds5

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

1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (PubChem CID 91754589) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
PubChem CID91754589
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)
InChIKeyQJPUIIKZKMYPSK-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

Analyze 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea with MolForge

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Launch Full Analysis

Related Compounds

1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
US10233188, Example 1
CID 134247531
US10233188, Example 21
CID 134247563
US10233188, Example 135
CID 134247622
US10233188, Example 19
CID 134253053
US10233188, Example 22
CID 134253054
US10233188, Example 29
CID 134253056
US10233188, Example 36
CID 134253062
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-Ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 118146747

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (CID 91754589) is 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The InChIKey is QJPUIIKZKMYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30).
What are the key properties of 1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
1-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea 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-[4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is sourced from PubChem (CID 91754589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).