[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

C19H18ClN7O2 — CID 170333527

IUPAC[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCC(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C19H18ClN7O2/c1-10(2)17-23-24-18(29-17)19(28)26-7-5-12-15(22-9-21-12)16(26)13-8-14-11(20)4-3-6-27(14)25-13/h3-4,6,8-10,16H,5,7H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyGCKACNFIKIJECR-MRXNPFEDSA-N
MW411.85 g/mol
LogP3.01
Rot. Bonds3

About [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 170333527) has the molecular formula C19H18ClN7O2 and a molecular weight of 411.85 g/mol. Its IUPAC name is [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID170333527
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC Name[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCC(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C19H18ClN7O2/c1-10(2)17-23-24-18(29-17)19(28)26-7-5-12-15(22-9-21-12)16(26)13-8-14-11(20)4-3-6-27(14)25-13/h3-4,6,8-10,16H,5,7H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyGCKACNFIKIJECR-MRXNPFEDSA-N
XLogP3.01
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 170333527) is [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is CC(C)c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1.
What is the InChIKey of [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is GCKACNFIKIJECR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN7O2/c1-10(2)17-23-24-18(29-17)19(28)26-7-5-12-15(22-9-21-12)16(26)13-8-14-11(20)4-3-6-27(14)25-13/h3-4,6,8-10,16H,5,7H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 411.85 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 170333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).