2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide

C24H25N5O3 — CID 146549636

IUPAC2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESCc1cc2nc(C(=O)NC3CCOCC3)cc(Cc3ccc(-c4cn(C)nn4)cc3)c2o1
InChIInChI=1S/C24H25N5O3/c1-15-11-20-23(32-15)18(13-21(26-20)24(30)25-19-7-9-31-10-8-19)12-16-3-5-17(6-4-16)22-14-29(2)28-27-22/h3-6,11,13-14,19H,7-10,12H2,1-2H3,(H,25,30)
InChIKeyUQWVVFQECHUGFF-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.43
Rot. Bonds5

About 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide

2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 146549636) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID146549636
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESCc1cc2nc(C(=O)NC3CCOCC3)cc(Cc3ccc(-c4cn(C)nn4)cc3)c2o1
InChIInChI=1S/C24H25N5O3/c1-15-11-20-23(32-15)18(13-21(26-20)24(30)25-19-7-9-31-10-8-19)12-16-3-5-17(6-4-16)22-14-29(2)28-27-22/h3-6,11,13-14,19H,7-10,12H2,1-2H3,(H,25,30)
InChIKeyUQWVVFQECHUGFF-UHFFFAOYSA-N
XLogP3.43
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
CID 146549989
7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid
CID 142503735
5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 129017443
2-methoxy-3,4-dimethyl-5-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 137404598
1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 151334705
N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312591
2-(cyclopropylmethoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethyl-5-[[4-(1-methyltriazol-4-yl)phenyl]methyl]benzamide
CID 137404595
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 53307086
7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 146549623
4-(cyclopropylmethoxy)-N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 156758782
1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
CID 118266817
4-methoxy-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 151923442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide (CID 146549636) is 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide is Cc1cc2nc(C(=O)NC3CCOCC3)cc(Cc3ccc(-c4cn(C)nn4)cc3)c2o1.
What is the InChIKey of 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is UQWVVFQECHUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-11-20-23(32-15)18(13-21(26-20)24(30)25-19-7-9-31-10-8-19)12-16-3-5-17(6-4-16)22-14-29(2)28-27-22/h3-6,11,13-14,19H,7-10,12H2,1-2H3,(H,25,30).
What are the key properties of 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide?
2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 146549636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).