6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide

C20H23FN8O — CID 77352547

IUPAC6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H23FN8O/c21-14-11-13(18(23)30)19(28-20(14)27-16-5-2-1-4-15(16)22)26-12-6-8-24-17(10-12)29-9-3-7-25-29/h3,6-11,15-16H,1-2,4-5,22H2,(H2,23,30)(H2,24,26,27,28)
InChIKeyWKGGGGHFFNVCIS-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.33
Rot. Bonds6

About 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 77352547) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID77352547
Molecular FormulaC20H23FN8O
Molecular Weight410.46 g/mol
Exact Mass410.20
IUPAC Name6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H23FN8O/c21-14-11-13(18(23)30)19(28-20(14)27-16-5-2-1-4-15(16)22)26-12-6-8-24-17(10-12)29-9-3-7-25-29/h3,6-11,15-16H,1-2,4-5,22H2,(H2,23,30)(H2,24,26,27,28)
InChIKeyWKGGGGHFFNVCIS-UHFFFAOYSA-N
XLogP2.33
TPSA136.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide (CID 77352547) is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1ccnc(-n2cccn2)c1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is WKGGGGHFFNVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O/c21-14-11-13(18(23)30)19(28-20(14)27-16-5-2-1-4-15(16)22)26-12-6-8-24-17(10-12)29-9-3-7-25-29/h3,6-11,15-16H,1-2,4-5,22H2,(H2,23,30)(H2,24,26,27,28).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 77352547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).