methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate

C19H20N4O2 — CID 139487985

IUPACmethyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1CC1
InChIInChI=1S/C19H20N4O2/c1-25-19(24)16-11-23(21-18(16)13-4-5-13)10-15-9-22-8-14(12-2-3-12)6-7-17(22)20-15/h6-9,11-13H,2-5,10H2,1H3
InChIKeyCQPGWCXYVWVQLH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.12
Rot. Bonds5

About methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate

methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate (PubChem CID 139487985) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
PubChem CID139487985
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Namemethyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1CC1
InChIInChI=1S/C19H20N4O2/c1-25-19(24)16-11-23(21-18(16)13-4-5-13)10-15-9-22-8-14(12-2-3-12)6-7-17(22)20-15/h6-9,11-13H,2-5,10H2,1H3
InChIKeyCQPGWCXYVWVQLH-UHFFFAOYSA-N
XLogP3.12
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate (CID 139487985) is methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate is COC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is CQPGWCXYVWVQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-19(24)16-11-23(21-18(16)13-4-5-13)10-15-9-22-8-14(12-2-3-12)6-7-17(22)20-15/h6-9,11-13H,2-5,10H2,1H3.
What are the key properties of methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139487985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).