2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid

C27H26N4O4 — CID 130361662

IUPAC2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
SMILESCOc1ccc(N(C)c2ccc3c(c2)OCCC3Cn2ccnc2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C27H26N4O4/c1-30(20-3-6-22(34-2)7-4-20)21-5-8-23-19(10-14-35-25(23)16-21)17-31-13-12-29-26(31)24-15-18(27(32)33)9-11-28-24/h3-9,11-13,15-16,19H,10,14,17H2,1-2H3,(H,32,33)
InChIKeyDUJWHGDSLRDKQK-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.99
Rot. Bonds7

About 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid

2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 130361662) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
PubChem CID130361662
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
SMILESCOc1ccc(N(C)c2ccc3c(c2)OCCC3Cn2ccnc2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C27H26N4O4/c1-30(20-3-6-22(34-2)7-4-20)21-5-8-23-19(10-14-35-25(23)16-21)17-31-13-12-29-26(31)24-15-18(27(32)33)9-11-28-24/h3-9,11-13,15-16,19H,10,14,17H2,1-2H3,(H,32,33)
InChIKeyDUJWHGDSLRDKQK-UHFFFAOYSA-N
XLogP4.99
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid (CID 130361662) is 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid is COc1ccc(N(C)c2ccc3c(c2)OCCC3Cn2ccnc2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid?
The InChIKey is DUJWHGDSLRDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-30(20-3-6-22(34-2)7-4-20)21-5-8-23-19(10-14-35-25(23)16-21)17-31-13-12-29-26(31)24-15-18(27(32)33)9-11-28-24/h3-9,11-13,15-16,19H,10,14,17H2,1-2H3,(H,32,33).
What are the key properties of 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid?
2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 470.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[7-(4-methoxy-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 130361662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).