4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide

C28H26N6OS2 — CID 58316570

IUPAC4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1nc2cc(CC[C@H]3CCNC3)cnc2s1
InChIInChI=1S/C28H26N6OS2/c1-17-24(36-26(32-17)20-5-4-11-29-16-20)25(35)33-22-7-3-2-6-21(22)27-34-23-13-19(15-31-28(23)37-27)9-8-18-10-12-30-14-18/h2-7,11,13,15-16,18,30H,8-10,12,14H2,1H3,(H,33,35)/t18-/m0/s1
InChIKeyKCTXSIBKBCCIPF-SFHVURJKSA-N
MW526.69 g/mol
LogP5.98
Rot. Bonds7

About 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 58316570) has the molecular formula C28H26N6OS2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID58316570
Molecular FormulaC28H26N6OS2
Molecular Weight526.69 g/mol
Exact Mass526.16
IUPAC Name4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1nc2cc(CC[C@H]3CCNC3)cnc2s1
InChIInChI=1S/C28H26N6OS2/c1-17-24(36-26(32-17)20-5-4-11-29-16-20)25(35)33-22-7-3-2-6-21(22)27-34-23-13-19(15-31-28(23)37-27)9-8-18-10-12-30-14-18/h2-7,11,13,15-16,18,30H,8-10,12,14H2,1H3,(H,33,35)/t18-/m0/s1
InChIKeyKCTXSIBKBCCIPF-SFHVURJKSA-N
XLogP5.98
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.69
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide (CID 58316570) is 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1nc2cc(CC[C@H]3CCNC3)cnc2s1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KCTXSIBKBCCIPF-SFHVURJKSA-N. The full InChI is InChI=1S/C28H26N6OS2/c1-17-24(36-26(32-17)20-5-4-11-29-16-20)25(35)33-22-7-3-2-6-21(22)27-34-23-13-19(15-31-28(23)37-27)9-8-18-10-12-30-14-18/h2-7,11,13,15-16,18,30H,8-10,12,14H2,1H3,(H,33,35)/t18-/m0/s1.
What are the key properties of 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 526.69 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-[2-[6-[2-[(3S)-pyrrolidin-3-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58316570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).