2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide

C28H24FN7OS — CID 172532840

IUPAC2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(c1ccc(Nc2ncccn2)cc1F)N(c1nccc2sc(-c3ccncc3)cc12)[C@@H]1CCCNC1
InChIInChI=1S/C28H24FN7OS/c29-23-15-19(35-28-33-10-2-11-34-28)4-5-21(23)27(37)36(20-3-1-9-31-17-20)26-22-16-25(18-6-12-30-13-7-18)38-24(22)8-14-32-26/h2,4-8,10-16,20,31H,1,3,9,17H2,(H,33,34,35)/t20-/m1/s1
InChIKeyDGENRWRCULUZGG-HXUWFJFHSA-N
MW525.61 g/mol
LogP5.43
Rot. Bonds6

About 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide

2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide (PubChem CID 172532840) has the molecular formula C28H24FN7OS and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide
PubChem CID172532840
Molecular FormulaC28H24FN7OS
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC Name2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(c1ccc(Nc2ncccn2)cc1F)N(c1nccc2sc(-c3ccncc3)cc12)[C@@H]1CCCNC1
InChIInChI=1S/C28H24FN7OS/c29-23-15-19(35-28-33-10-2-11-34-28)4-5-21(23)27(37)36(20-3-1-9-31-17-20)26-22-16-25(18-6-12-30-13-7-18)38-24(22)8-14-32-26/h2,4-8,10-16,20,31H,1,3,9,17H2,(H,33,34,35)/t20-/m1/s1
InChIKeyDGENRWRCULUZGG-HXUWFJFHSA-N
XLogP5.43
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(8-chloroisoquinolin-1-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 172532846
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 172533693
2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532149
N-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-c]pyridin-4-yl]-2-fluoro-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172532266
N-[2-(2-cyano-4-pyridinyl)thieno[3,2-c]pyridin-4-yl]-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532809
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]benzamide
CID 172533332
N-(2-bromothieno[3,2-c]pyridin-4-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533626
2-fluoro-4-[[4-(3-methoxypropyl)pyrimidin-2-yl]amino]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532262
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-[[4-(3-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]-N-[(3R)-piperidin-3-yl]benzamide
CID 172532156
N-[2-[(E)-3-amino-3-oxoprop-1-enyl]thieno[3,2-c]pyridin-4-yl]-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532031
2-fluoro-4-[[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]amino]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532229
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-[(2-oxo-1H-pyridin-3-yl)amino]-N-[(3R)-piperidin-3-yl]benzamide
CID 172532957

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide (CID 172532840) is 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide is O=C(c1ccc(Nc2ncccn2)cc1F)N(c1nccc2sc(-c3ccncc3)cc12)[C@@H]1CCCNC1.
What is the InChIKey of 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide?
The InChIKey is DGENRWRCULUZGG-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H24FN7OS/c29-23-15-19(35-28-33-10-2-11-34-28)4-5-21(23)27(37)36(20-3-1-9-31-17-20)26-22-16-25(18-6-12-30-13-7-18)38-24(22)8-14-32-26/h2,4-8,10-16,20,31H,1,3,9,17H2,(H,33,34,35)/t20-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide?
2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide has a molecular weight of 525.61 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 172532840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).