N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine

C25H23N5 — CID 142403778

IUPACN-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine
SMILESCn1cc(-c2ccc(-c3cnc4cccc(NCC5=CC=CCC=C5)n34)cc2)cn1
InChIInChI=1S/C25H23N5/c1-29-18-22(16-28-29)20-11-13-21(14-12-20)23-17-27-25-10-6-9-24(30(23)25)26-15-19-7-4-2-3-5-8-19/h2,4-14,16-18,26H,3,15H2,1H3
InChIKeyYHUDGMJDHQDTBV-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.26
Rot. Bonds5

About N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine

N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine (PubChem CID 142403778) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine
PubChem CID142403778
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine
SMILESCn1cc(-c2ccc(-c3cnc4cccc(NCC5=CC=CCC=C5)n34)cc2)cn1
InChIInChI=1S/C25H23N5/c1-29-18-22(16-28-29)20-11-13-21(14-12-20)23-17-27-25-10-6-9-24(30(23)25)26-15-19-7-4-2-3-5-8-19/h2,4-14,16-18,26H,3,15H2,1H3
InChIKeyYHUDGMJDHQDTBV-UHFFFAOYSA-N
XLogP5.26
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 135260458
8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 135260537
1-[4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135249544
ethyl 1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate
CID 135240865
5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
CID 135249457
4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137001359
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
ethyl 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylate
CID 135249439
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
CID 155587709
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763

Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine (CID 142403778) is N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine is Cn1cc(-c2ccc(-c3cnc4cccc(NCC5=CC=CCC=C5)n34)cc2)cn1.
What is the InChIKey of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine?
The InChIKey is YHUDGMJDHQDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-29-18-22(16-28-29)20-11-13-21(14-12-20)23-17-27-25-10-6-9-24(30(23)25)26-15-19-7-4-2-3-5-8-19/h2,4-14,16-18,26H,3,15H2,1H3.
What are the key properties of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine?
N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine has a molecular weight of 393.49 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 142403778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).