3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C23H22N6O2 — CID 46846866

IUPAC3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOC[C@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1
InChIInChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1
InChIKeyDXNSJZNPTGVXTF-QGZVFWFLSA-N
MW414.47 g/mol
LogP3.01
Rot. Bonds4

About 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 46846866) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID46846866
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOC[C@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1
InChIInChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1
InChIKeyDXNSJZNPTGVXTF-QGZVFWFLSA-N
XLogP3.01
TPSA88.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134151944
3-[1-(3-Imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451185
2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-3-(morpholin-4-ylmethyl)-1H-indole-6-carboxamide
CID 136016421
3-[1-(3-Imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 155538180
Azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
CID 46847095
(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53247556
Azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone
CID 58522713
Azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
CID 58522781
Azepan-1-yl-[1-benzyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)indazol-6-yl]methanone
CID 58522803
Azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone
CID 58522805
3-Cyano-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500653
US10800784, Example 5
CID 151397668

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 46846866) is 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile is COC[C@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1.
What is the InChIKey of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is DXNSJZNPTGVXTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-methylindazol-3-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 46846866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).