1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide

C26H23N7O4 — CID 165414234

IUPAC1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide
SMILESO=C(N/C=c1\ncn2ccc(=O)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C4(O)COC4)c3n2)c1
InChIInChI=1S/C26H23N7O4/c34-20-3-4-31-15-28-22(23(31)6-20)8-27-25(35)18-7-29-33(10-18)12-19-11-32-9-17(16-1-2-16)5-21(24(32)30-19)26(36)13-37-14-26/h3-11,15-16,36H,1-2,12-14H2,(H,27,35)/b22-8-
InChIKeyQRLHHCIUKPCBNU-UYOCIXKTSA-N
MW497.52 g/mol
LogP0.57
Rot. Bonds6

About 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide

1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide (PubChem CID 165414234) has the molecular formula C26H23N7O4 and a molecular weight of 497.52 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide
PubChem CID165414234
Molecular FormulaC26H23N7O4
Molecular Weight497.52 g/mol
Exact Mass497.18
IUPAC Name1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide
SMILESO=C(N/C=c1\ncn2ccc(=O)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C4(O)COC4)c3n2)c1
InChIInChI=1S/C26H23N7O4/c34-20-3-4-31-15-28-22(23(31)6-20)8-27-25(35)18-7-29-33(10-18)12-19-11-32-9-17(16-1-2-16)5-21(24(32)30-19)26(36)13-37-14-26/h3-11,15-16,36H,1-2,12-14H2,(H,27,35)/b22-8-
InChIKeyQRLHHCIUKPCBNU-UYOCIXKTSA-N
XLogP0.57
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide (CID 165414234) is 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide is O=C(N/C=c1\ncn2ccc(=O)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C4(O)COC4)c3n2)c1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide?
The InChIKey is QRLHHCIUKPCBNU-UYOCIXKTSA-N. The full InChI is InChI=1S/C26H23N7O4/c34-20-3-4-31-15-28-22(23(31)6-20)8-27-25(35)18-7-29-33(10-18)12-19-11-32-9-17(16-1-2-16)5-21(24(32)30-19)26(36)13-37-14-26/h3-11,15-16,36H,1-2,12-14H2,(H,27,35)/b22-8-.
What are the key properties of 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide?
1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[(Z)-(7-oxoimidazo[1,5-a]pyridin-1-ylidene)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 165414234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).