1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one

C18H20FN7O — CID 172590121

IUPAC1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one
SMILESNC1CCC(Nc2ncc(F)c(-n3cc(-n4ccccc4=O)cn3)n2)CC1
InChIInChI=1S/C18H20FN7O/c19-15-10-21-18(23-13-6-4-12(20)5-7-13)24-17(15)26-11-14(9-22-26)25-8-2-1-3-16(25)27/h1-3,8-13H,4-7,20H2,(H,21,23,24)
InChIKeyGHIFWVARPUZGEW-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.63
Rot. Bonds4

About 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one

1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one (PubChem CID 172590121) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one
PubChem CID172590121
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one
SMILESNC1CCC(Nc2ncc(F)c(-n3cc(-n4ccccc4=O)cn3)n2)CC1
InChIInChI=1S/C18H20FN7O/c19-15-10-21-18(23-13-6-4-12(20)5-7-13)24-17(15)26-11-14(9-22-26)25-8-2-1-3-16(25)27/h1-3,8-13H,4-7,20H2,(H,21,23,24)
InChIKeyGHIFWVARPUZGEW-UHFFFAOYSA-N
XLogP1.63
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one (CID 172590121) is 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one is NC1CCC(Nc2ncc(F)c(-n3cc(-n4ccccc4=O)cn3)n2)CC1.
What is the InChIKey of 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is GHIFWVARPUZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c19-15-10-21-18(23-13-6-4-12(20)5-7-13)24-17(15)26-11-14(9-22-26)25-8-2-1-3-16(25)27/h1-3,8-13H,4-7,20H2,(H,21,23,24).
What are the key properties of 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one?
1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 369.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 172590121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).