6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide

C20H23FN6OS — CID 69284913

IUPAC6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
SMILESNCC1CCCC[C@H]1Nc1nc(Nc2csc3ncccc23)c(C(N)=O)cc1F
InChIInChI=1S/C20H23FN6OS/c21-14-8-13(17(23)28)18(26-16-10-29-20-12(16)5-3-7-24-20)27-19(14)25-15-6-2-1-4-11(15)9-22/h3,5,7-8,10-11,15H,1-2,4,6,9,22H2,(H2,23,28)(H2,25,26,27)/t11?,15-/m1/s1
InChIKeyNRLHPGQWGHEXIW-JOPIAHFSSA-N
MW414.51 g/mol
LogP3.60
Rot. Bonds6

About 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide

6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 69284913) has the molecular formula C20H23FN6OS and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID69284913
Molecular FormulaC20H23FN6OS
Molecular Weight414.51 g/mol
Exact Mass414.16
IUPAC Name6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
SMILESNCC1CCCC[C@H]1Nc1nc(Nc2csc3ncccc23)c(C(N)=O)cc1F
InChIInChI=1S/C20H23FN6OS/c21-14-8-13(17(23)28)18(26-16-10-29-20-12(16)5-3-7-24-20)27-19(14)25-15-6-2-1-4-11(15)9-22/h3,5,7-8,10-11,15H,1-2,4,6,9,22H2,(H2,23,28)(H2,25,26,27)/t11?,15-/m1/s1
InChIKeyNRLHPGQWGHEXIW-JOPIAHFSSA-N
XLogP3.60
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

CID 11951723
CID 11951723
CID 11951901
CID 11951901
CID 54585405
CID 54585405
CID 50925625
CID 50925625
CID 57404486
CID 57404486
CID 57404487
CID 57404487
CID 1962617
CID 1962617
CID 10246246
CID 10246246
CID 11842628
CID 11842628
CID 11951722
CID 11951722
CID 11951724
CID 11951724
CID 11951725
CID 11951725

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide (CID 69284913) is 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide is NCC1CCCC[C@H]1Nc1nc(Nc2csc3ncccc23)c(C(N)=O)cc1F.
What is the InChIKey of 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is NRLHPGQWGHEXIW-JOPIAHFSSA-N. The full InChI is InChI=1S/C20H23FN6OS/c21-14-8-13(17(23)28)18(26-16-10-29-20-12(16)5-3-7-24-20)27-19(14)25-15-6-2-1-4-11(15)9-22/h3,5,7-8,10-11,15H,1-2,4,6,9,22H2,(H2,23,28)(H2,25,26,27)/t11?,15-/m1/s1.
What are the key properties of 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 69284913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).