N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide

C25H26FN7OS — CID 87812403

IUPACN-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCN(c1ccc(F)cc1)c1ccc2nc(Nc3ccc(CNC(=O)C4CCNCC4)cn3)sc2n1
InChIInChI=1S/C25H26FN7OS/c1-33(19-5-3-18(26)4-6-19)22-9-7-20-24(32-22)35-25(30-20)31-21-8-2-16(14-28-21)15-29-23(34)17-10-12-27-13-11-17/h2-9,14,17,27H,10-13,15H2,1H3,(H,29,34)(H,28,30,31)
InChIKeyLPLRUCMIAOZVFD-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.35
Rot. Bonds7

About N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide

N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 87812403) has the molecular formula C25H26FN7OS and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID87812403
Molecular FormulaC25H26FN7OS
Molecular Weight491.60 g/mol
Exact Mass491.19
IUPAC NameN-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCN(c1ccc(F)cc1)c1ccc2nc(Nc3ccc(CNC(=O)C4CCNCC4)cn3)sc2n1
InChIInChI=1S/C25H26FN7OS/c1-33(19-5-3-18(26)4-6-19)22-9-7-20-24(32-22)35-25(30-20)31-21-8-2-16(14-28-21)15-29-23(34)17-10-12-27-13-11-17/h2-9,14,17,27H,10-13,15H2,1H3,(H,29,34)(H,28,30,31)
InChIKeyLPLRUCMIAOZVFD-UHFFFAOYSA-N
XLogP4.35
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 87812403) is N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide is CN(c1ccc(F)cc1)c1ccc2nc(Nc3ccc(CNC(=O)C4CCNCC4)cn3)sc2n1.
What is the InChIKey of N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is LPLRUCMIAOZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7OS/c1-33(19-5-3-18(26)4-6-19)22-9-7-20-24(32-22)35-25(30-20)31-21-8-2-16(14-28-21)15-29-23(34)17-10-12-27-13-11-17/h2-9,14,17,27H,10-13,15H2,1H3,(H,29,34)(H,28,30,31).
What are the key properties of N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide?
N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87812403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).