6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide

C19H18F3N7O — CID 165415070

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(CCC(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)6-8-29-7-5-16(28-29)27-18(30)17-15(25-13-9-23-11-24-10-13)4-3-14(26-17)12-1-2-12/h3-5,7,9-12,25H,1-2,6,8H2,(H,27,28,30)
InChIKeyCVURJDXPUHRWCL-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.89
Rot. Bonds7

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 165415070) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID165415070
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(CCC(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)6-8-29-7-5-16(28-29)27-18(30)17-15(25-13-9-23-11-24-10-13)4-3-14(26-17)12-1-2-12/h3-5,7,9-12,25H,1-2,6,8H2,(H,27,28,30)
InChIKeyCVURJDXPUHRWCL-UHFFFAOYSA-N
XLogP3.89
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide 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 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide (CID 165415070) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(CCC(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is CVURJDXPUHRWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c20-19(21,22)6-8-29-7-5-16(28-29)27-18(30)17-15(25-13-9-23-11-24-10-13)4-3-14(26-17)12-1-2-12/h3-5,7,9-12,25H,1-2,6,8H2,(H,27,28,30).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165415070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).