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

C25H26FN7OS — CID 24771877

IUPAC1-[[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(CN4CCC(C(N)=O)CC4)cn3)sc2n1
InChIInChI=1S/C25H26FN7OS/c1-32(19-5-3-18(26)4-6-19)22-9-7-20-24(31-22)35-25(29-20)30-21-8-2-16(14-28-21)15-33-12-10-17(11-13-33)23(27)34/h2-9,14,17H,10-13,15H2,1H3,(H2,27,34)(H,28,29,30)
InChIKeyKDMRRPYKCXVRAM-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.43
Rot. Bonds7

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

1-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 24771877) has the molecular formula C25H26FN7OS and a molecular weight of 491.60 g/mol. Its IUPAC name is 1-[[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 Name1-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID24771877
Molecular FormulaC25H26FN7OS
Molecular Weight491.60 g/mol
Exact Mass491.19
IUPAC Name1-[[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(CN4CCC(C(N)=O)CC4)cn3)sc2n1
InChIInChI=1S/C25H26FN7OS/c1-32(19-5-3-18(26)4-6-19)22-9-7-20-24(31-22)35-25(29-20)30-21-8-2-16(14-28-21)15-33-12-10-17(11-13-33)23(27)34/h2-9,14,17H,10-13,15H2,1H3,(H2,27,34)(H,28,29,30)
InChIKeyKDMRRPYKCXVRAM-UHFFFAOYSA-N
XLogP4.43
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[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 1-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 24771877) is 1-[[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 1-[[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 1-[[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(CN4CCC(C(N)=O)CC4)cn3)sc2n1.
What is the InChIKey of 1-[[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 KDMRRPYKCXVRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7OS/c1-32(19-5-3-18(26)4-6-19)22-9-7-20-24(31-22)35-25(29-20)30-21-8-2-16(14-28-21)15-33-12-10-17(11-13-33)23(27)34/h2-9,14,17H,10-13,15H2,1H3,(H2,27,34)(H,28,29,30).
What are the key properties of 1-[[6-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxamide?
1-[[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 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[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 24771877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).