N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C24H19N5O3 — CID 56530576

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H19N5O3/c1-28-24(31)20-10-3-2-9-19(20)22(27-28)23(30)26-16-7-6-8-18(13-16)32-15-17-14-29-12-5-4-11-21(29)25-17/h2-14H,15H2,1H3,(H,26,30)
InChIKeySQSSDFNJDTVQIF-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.41
Rot. Bonds5

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 56530576) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID56530576
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H19N5O3/c1-28-24(31)20-10-3-2-9-19(20)22(27-28)23(30)26-16-7-6-8-18(13-16)32-15-17-14-29-12-5-4-11-21(29)25-17/h2-14H,15H2,1H3,(H,26,30)
InChIKeySQSSDFNJDTVQIF-UHFFFAOYSA-N
XLogP3.41
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
3-chloro-6-ethoxy-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 56530800
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632
2-(2-ethoxyethoxy)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56582400
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
2-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 56530502
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,4-dimethoxybenzamide
CID 56530511
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 154863362
4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56584450

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 56530576) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is SQSSDFNJDTVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-28-24(31)20-10-3-2-9-19(20)22(27-28)23(30)26-16-7-6-8-18(13-16)32-15-17-14-29-12-5-4-11-21(29)25-17/h2-14H,15H2,1H3,(H,26,30).
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 56530576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).