2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide

C22H20ClN7OS — CID 170774607

IUPAC2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nsc(NCc2cn3cc(C4CC4)ccc3n2)n1)C1CC1c1ncccc1Cl
InChIInChI=1S/C22H20ClN7OS/c23-17-2-1-7-24-19(17)15-8-16(15)20(31)27-21-28-22(32-29-21)25-9-14-11-30-10-13(12-3-4-12)5-6-18(30)26-14/h1-2,5-7,10-12,15-16H,3-4,8-9H2,(H2,25,27,28,29,31)
InChIKeyRBVJPGTZSMWSSS-UHFFFAOYSA-N
MW465.97 g/mol
LogP4.47
Rot. Bonds7

About 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide

2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 170774607) has the molecular formula C22H20ClN7OS and a molecular weight of 465.97 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide
PubChem CID170774607
Molecular FormulaC22H20ClN7OS
Molecular Weight465.97 g/mol
Exact Mass465.11
IUPAC Name2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nsc(NCc2cn3cc(C4CC4)ccc3n2)n1)C1CC1c1ncccc1Cl
InChIInChI=1S/C22H20ClN7OS/c23-17-2-1-7-24-19(17)15-8-16(15)20(31)27-21-28-22(32-29-21)25-9-14-11-30-10-13(12-3-4-12)5-6-18(30)26-14/h1-2,5-7,10-12,15-16H,3-4,8-9H2,(H2,25,27,28,29,31)
InChIKeyRBVJPGTZSMWSSS-UHFFFAOYSA-N
XLogP4.47
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide (CID 170774607) is 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1nsc(NCc2cn3cc(C4CC4)ccc3n2)n1)C1CC1c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is RBVJPGTZSMWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7OS/c23-17-2-1-7-24-19(17)15-8-16(15)20(31)27-21-28-22(32-29-21)25-9-14-11-30-10-13(12-3-4-12)5-6-18(30)26-14/h1-2,5-7,10-12,15-16H,3-4,8-9H2,(H2,25,27,28,29,31).
What are the key properties of 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide?
2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 465.97 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-1,2,4-thiadiazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170774607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).