1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide

C25H26F3N5O2 — CID 165142560

IUPAC1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide
SMILESC=C(/C=C(\OC)C(C)(C)C(F)(F)F)NC(=O)c1ccc2c(c1)N(Cc1cnc3cnccn13)CC2
InChIInChI=1S/C25H26F3N5O2/c1-16(11-21(35-4)24(2,3)25(26,27)28)31-23(34)18-6-5-17-7-9-32(20(17)12-18)15-19-13-30-22-14-29-8-10-33(19)22/h5-6,8,10-14H,1,7,9,15H2,2-4H3,(H,31,34)/b21-11-
InChIKeyAHVZZNFRCLAJCG-NHDPSOOVSA-N
MW485.51 g/mol
LogP4.65
Rot. Bonds7

About 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142560) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide
PubChem CID165142560
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide
SMILESC=C(/C=C(\OC)C(C)(C)C(F)(F)F)NC(=O)c1ccc2c(c1)N(Cc1cnc3cnccn13)CC2
InChIInChI=1S/C25H26F3N5O2/c1-16(11-21(35-4)24(2,3)25(26,27)28)31-23(34)18-6-5-17-7-9-32(20(17)12-18)15-19-13-30-22-14-29-8-10-33(19)22/h5-6,8,10-14H,1,7,9,15H2,2-4H3,(H,31,34)/b21-11-
InChIKeyAHVZZNFRCLAJCG-NHDPSOOVSA-N
XLogP4.65
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide (CID 165142560) is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide is C=C(/C=C(\OC)C(C)(C)C(F)(F)F)NC(=O)c1ccc2c(c1)N(Cc1cnc3cnccn13)CC2.
What is the InChIKey of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide?
The InChIKey is AHVZZNFRCLAJCG-NHDPSOOVSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-16(11-21(35-4)24(2,3)25(26,27)28)31-23(34)18-6-5-17-7-9-32(20(17)12-18)15-19-13-30-22-14-29-8-10-33(19)22/h5-6,8,10-14H,1,7,9,15H2,2-4H3,(H,31,34)/b21-11-.
What are the key properties of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide?
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[(3Z)-6,6,6-trifluoro-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).