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

C20H23FN8O — CID 67777059

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cncc(-n2cccn2)c1
InChIInChI=1S/C20H23FN8O/c21-15-9-14(18(23)30)19(28-20(15)27-17-5-2-1-4-16(17)22)26-12-8-13(11-24-10-12)29-7-3-6-25-29/h3,6-11,16-17H,1-2,4-5,22H2,(H2,23,30)(H2,26,27,28)/t16-,17+/m0/s1
InChIKeyXCHCXJYTUFETND-DLBZAZTESA-N
MW410.46 g/mol
LogP2.33
Rot. Bonds6

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 67777059) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID67777059
Molecular FormulaC20H23FN8O
Molecular Weight410.46 g/mol
Exact Mass410.20
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cncc(-n2cccn2)c1
InChIInChI=1S/C20H23FN8O/c21-15-9-14(18(23)30)19(28-20(15)27-17-5-2-1-4-16(17)22)26-12-8-13(11-24-10-12)29-7-3-6-25-29/h3,6-11,16-17H,1-2,4-5,22H2,(H2,23,30)(H2,26,27,28)/t16-,17+/m0/s1
InChIKeyXCHCXJYTUFETND-DLBZAZTESA-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-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide (CID 67777059) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cncc(-n2cccn2)c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is XCHCXJYTUFETND-DLBZAZTESA-N. The full InChI is InChI=1S/C20H23FN8O/c21-15-9-14(18(23)30)19(28-20(15)27-17-5-2-1-4-16(17)22)26-12-8-13(11-24-10-12)29-7-3-6-25-29/h3,6-11,16-17H,1-2,4-5,22H2,(H2,23,30)(H2,26,27,28)/t16-,17+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-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-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67777059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).