3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one

C25H23ClN6O2 — CID 153431044

IUPAC3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(CO)c3n2)c1
InChIInChI=1S/C25H23ClN6O2/c26-20-5-6-30-15-27-22(23(30)8-20)3-4-24(34)19-9-28-32(11-19)13-21-12-31-10-17(16-1-2-16)7-18(14-33)25(31)29-21/h5-12,15-16,33H,1-4,13-14H2
InChIKeyDVGZXKOEDNPVFR-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.07
Rot. Bonds8

About 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one (PubChem CID 153431044) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one
PubChem CID153431044
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(CO)c3n2)c1
InChIInChI=1S/C25H23ClN6O2/c26-20-5-6-30-15-27-22(23(30)8-20)3-4-24(34)19-9-28-32(11-19)13-21-12-31-10-17(16-1-2-16)7-18(14-33)25(31)29-21/h5-12,15-16,33H,1-4,13-14H2
InChIKeyDVGZXKOEDNPVFR-UHFFFAOYSA-N
XLogP4.07
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one?
The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one (CID 153431044) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one?
The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(CO)c3n2)c1.
What is the InChIKey of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one?
The InChIKey is DVGZXKOEDNPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c26-20-5-6-30-15-27-22(23(30)8-20)3-4-24(34)19-9-28-32(11-19)13-21-12-31-10-17(16-1-2-16)7-18(14-33)25(31)29-21/h5-12,15-16,33H,1-4,13-14H2.
What are the key properties of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one?
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one has a molecular weight of 474.95 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 153431044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).