N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C27H23N5O3 — CID 75896979

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2cnn(-c3ccccc3)c2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C27H23N5O3/c1-34-24-12-11-21(15-25(24)35-19-22-18-31-14-6-5-9-26(31)29-22)30-27(33)13-10-20-16-28-32(17-20)23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,30,33)
InChIKeyXRRQLLPMNNBODF-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.76
Rot. Bonds8

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 75896979) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID75896979
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2cnn(-c3ccccc3)c2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C27H23N5O3/c1-34-24-12-11-21(15-25(24)35-19-22-18-31-14-6-5-9-26(31)29-22)30-27(33)13-10-20-16-28-32(17-20)23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,30,33)
InChIKeyXRRQLLPMNNBODF-UHFFFAOYSA-N
XLogP4.76
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-methylpropanamide
CID 119859743
(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859782
4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 52668432
3-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119859749
3-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55826214
ethyl (E)-3-[4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]prop-2-enoate
CID 27902755
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-pyrrolidin-2-ylacetamide
CID 119859777
4-(difluoromethylsulfonyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 55950861
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55949341
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 56582430
ethyl 1-methyl-4-[[(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]pyrrole-2-carboxylate
CID 97359534

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 75896979) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2cnn(-c3ccccc3)c2)cc1OCc1cn2ccccc2n1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is XRRQLLPMNNBODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-34-24-12-11-21(15-25(24)35-19-22-18-31-14-6-5-9-26(31)29-22)30-27(33)13-10-20-16-28-32(17-20)23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,30,33).
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 465.51 g/mol, XLogP of 4.76, 8 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)-4-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 75896979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).