methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate

C21H21ClN4O2 — CID 118251575

IUPACmethyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(Cc3cc(Cl)cc4cnn(CC(C)C)c34)ncc2c1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)12-26-20-15(6-17(22)7-16(20)10-24-26)9-19-23-11-18-8-14(21(27)28-3)4-5-25(18)19/h4-8,10-11,13H,9,12H2,1-3H3
InChIKeyWIUTVXIFRZDTLD-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.37
Rot. Bonds5

About methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate

methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 118251575) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID118251575
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Namemethyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(Cc3cc(Cl)cc4cnn(CC(C)C)c34)ncc2c1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)12-26-20-15(6-17(22)7-16(20)10-24-26)9-19-23-11-18-8-14(21(27)28-3)4-5-25(18)19/h4-8,10-11,13H,9,12H2,1-3H3
InChIKeyWIUTVXIFRZDTLD-UHFFFAOYSA-N
XLogP4.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
CID 117145255
1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 91826286
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251812
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145233
methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690423
7-chloro-1-(2-methylpropyl)indazol-5-amine
CID 90308746
methyl 3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145291
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690440
(5-chloro-1-propylindazol-7-yl)methanol
CID 118251633
methyl 3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145079

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate (CID 118251575) is methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(Cc3cc(Cl)cc4cnn(CC(C)C)c34)ncc2c1.
What is the InChIKey of methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is WIUTVXIFRZDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13(2)12-26-20-15(6-17(22)7-16(20)10-24-26)9-19-23-11-18-8-14(21(27)28-3)4-5-25(18)19/h4-8,10-11,13H,9,12H2,1-3H3.
What are the key properties of methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 396.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 118251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).