cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide

C25H25N5OS — CID 154598579

IUPACcis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide
SMILESCC1(NC(=O)[C@H]2CC[C@@H](n3cncc3-c3ccc(-c4cnc5ncsc5c4)cc3)C2)CC1
InChIInChI=1S/C25H25N5OS/c1-25(8-9-25)29-24(31)18-6-7-20(10-18)30-14-26-13-21(30)17-4-2-16(3-5-17)19-11-22-23(27-12-19)28-15-32-22/h2-5,11-15,18,20H,6-10H2,1H3,(H,29,31)/t18-,20+/m0/s1
InChIKeyWDUKTSGUMMTATA-AZUAARDMSA-N
MW443.58 g/mol
LogP5.23
Rot. Bonds5

About cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide

cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide (PubChem CID 154598579) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide
PubChem CID154598579
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC Namecis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide
SMILESCC1(NC(=O)[C@H]2CC[C@@H](n3cncc3-c3ccc(-c4cnc5ncsc5c4)cc3)C2)CC1
InChIInChI=1S/C25H25N5OS/c1-25(8-9-25)29-24(31)18-6-7-20(10-18)30-14-26-13-21(30)17-4-2-16(3-5-17)19-11-22-23(27-12-19)28-15-32-22/h2-5,11-15,18,20H,6-10H2,1H3,(H,29,31)/t18-,20+/m0/s1
InChIKeyWDUKTSGUMMTATA-AZUAARDMSA-N
XLogP5.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide (CID 154598579) is cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide is CC1(NC(=O)[C@H]2CC[C@@H](n3cncc3-c3ccc(-c4cnc5ncsc5c4)cc3)C2)CC1.
What is the InChIKey of cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide?
The InChIKey is WDUKTSGUMMTATA-AZUAARDMSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-25(8-9-25)29-24(31)18-6-7-20(10-18)30-14-26-13-21(30)17-4-2-16(3-5-17)19-11-22-23(27-12-19)28-15-32-22/h2-5,11-15,18,20H,6-10H2,1H3,(H,29,31)/t18-,20+/m0/s1.
What are the key properties of cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide?
cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide has a molecular weight of 443.58 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-(1-methylcyclopropyl)-3-[5-[4-([1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]imidazol-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 154598579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).