1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

C26H23N5 — CID 66669251

IUPAC1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccc(-c5cnc[nH]5)cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H23N5/c27-26(13-4-14-26)21-10-7-18(8-11-21)24-25(19-5-2-1-3-6-19)31-16-20(9-12-23(31)30-24)22-15-28-17-29-22/h1-3,5-12,15-17H,4,13-14,27H2,(H,28,29)
InChIKeyNRFYHWQUGROXDP-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.40
Rot. Bonds4

About 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 66669251) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
PubChem CID66669251
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccc(-c5cnc[nH]5)cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H23N5/c27-26(13-4-14-26)21-10-7-18(8-11-21)24-25(19-5-2-1-3-6-19)31-16-20(9-12-23(31)30-24)22-15-28-17-29-22/h1-3,5-12,15-17H,4,13-14,27H2,(H,28,29)
InChIKeyNRFYHWQUGROXDP-UHFFFAOYSA-N
XLogP5.40
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 56644192
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
CID 66665901
2-[4-(1-aminocyclobutyl)phenyl]-N-methyl-3-phenylimidazo[1,2-a]pyridin-7-amine
CID 123220669
1-[4-(8-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 56644616
1-[4-(8-cyclopropyl-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 56644826
1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 66665212
2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide
CID 66665522
tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
CID 66665600
7-[4-(1-aminocyclobutyl)phenyl]-6-phenylimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 46927162
1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70818207
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70817988

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (CID 66669251) is 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4ccc(-c5cnc[nH]5)cn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is NRFYHWQUGROXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c27-26(13-4-14-26)21-10-7-18(8-11-21)24-25(19-5-2-1-3-6-19)31-16-20(9-12-23(31)30-24)22-15-28-17-29-22/h1-3,5-12,15-17H,4,13-14,27H2,(H,28,29).
What are the key properties of 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 405.51 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 66669251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).