4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane

C29H41ClF2N6OS — CID 144691396

IUPAC4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane
SMILESCC.CC.CC.CC.O=C(NC1CCn2cc(-c3ccccc3)nc2C1)c1[nH]ncc1-c1nc(C(F)F)c(Cl)s1
InChIInChI=1S/C21H17ClF2N6OS.4C2H6/c22-18-17(19(23)24)28-21(32-18)13-9-25-29-16(13)20(31)26-12-6-7-30-10-14(27-15(30)8-12)11-4-2-1-3-5-11;4*1-2/h1-5,9-10,12,19H,6-8H2,(H,25,29)(H,26,31);4*1-2H3
InChIKeyKSOCZZHVXYPHQP-UHFFFAOYSA-N
MW595.20 g/mol
LogP8.84
Rot. Bonds5

About 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane (PubChem CID 144691396) has the molecular formula C29H41ClF2N6OS and a molecular weight of 595.20 g/mol. Its IUPAC name is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane.

Molecular Properties

Compound Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane
PubChem CID144691396
Molecular FormulaC29H41ClF2N6OS
Molecular Weight595.20 g/mol
Exact Mass594.27
IUPAC Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane
SMILESCC.CC.CC.CC.O=C(NC1CCn2cc(-c3ccccc3)nc2C1)c1[nH]ncc1-c1nc(C(F)F)c(Cl)s1
InChIInChI=1S/C21H17ClF2N6OS.4C2H6/c22-18-17(19(23)24)28-21(32-18)13-9-25-29-16(13)20(31)26-12-6-7-30-10-14(27-15(30)8-12)11-4-2-1-3-5-11;4*1-2/h1-5,9-10,12,19H,6-8H2,(H,25,29)(H,26,31);4*1-2H3
InChIKeyKSOCZZHVXYPHQP-UHFFFAOYSA-N
XLogP8.84
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.20
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane?
The IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane (CID 144691396) is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane.
What is the SMILES notation for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane?
The canonical SMILES for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane is CC.CC.CC.CC.O=C(NC1CCn2cc(-c3ccccc3)nc2C1)c1[nH]ncc1-c1nc(C(F)F)c(Cl)s1.
What is the InChIKey of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane?
The InChIKey is KSOCZZHVXYPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N6OS.4C2H6/c22-18-17(19(23)24)28-21(32-18)13-9-25-29-16(13)20(31)26-12-6-7-30-10-14(27-15(30)8-12)11-4-2-1-3-5-11;4*1-2/h1-5,9-10,12,19H,6-8H2,(H,25,29)(H,26,31);4*1-2H3.
What are the key properties of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane?
4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane has a molecular weight of 595.20 g/mol, XLogP of 8.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide;ethane is sourced from PubChem (CID 144691396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).