3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile

C24H27N7 — CID 123828512

IUPAC3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile
SMILESC=CC(=CN(C)C1CCC1)c1cc2nccn2c(-c2cnn(C(CC#N)C3CC3)c2)n1
InChIInChI=1S/C24H27N7/c1-3-17(15-29(2)20-5-4-6-20)21-13-23-26-11-12-30(23)24(28-21)19-14-27-31(16-19)22(9-10-25)18-7-8-18/h3,11-16,18,20,22H,1,4-9H2,2H3
InChIKeyACKXDWFPZSFBHE-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.47
Rot. Bonds8

About 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile

3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile (PubChem CID 123828512) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile.

Molecular Properties

Compound Name3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile
PubChem CID123828512
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile
SMILESC=CC(=CN(C)C1CCC1)c1cc2nccn2c(-c2cnn(C(CC#N)C3CC3)c2)n1
InChIInChI=1S/C24H27N7/c1-3-17(15-29(2)20-5-4-6-20)21-13-23-26-11-12-30(23)24(28-21)19-14-27-31(16-19)22(9-10-25)18-7-8-18/h3,11-16,18,20,22H,1,4-9H2,2H3
InChIKeyACKXDWFPZSFBHE-UHFFFAOYSA-N
XLogP4.47
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile?
The IUPAC name of 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile (CID 123828512) is 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile.
What is the SMILES notation for 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile?
The canonical SMILES for 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile is C=CC(=CN(C)C1CCC1)c1cc2nccn2c(-c2cnn(C(CC#N)C3CC3)c2)n1.
What is the InChIKey of 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile?
The InChIKey is ACKXDWFPZSFBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-3-17(15-29(2)20-5-4-6-20)21-13-23-26-11-12-30(23)24(28-21)19-14-27-31(16-19)22(9-10-25)18-7-8-18/h3,11-16,18,20,22H,1,4-9H2,2H3.
What are the key properties of 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile?
3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile has a molecular weight of 413.53 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile is sourced from PubChem (CID 123828512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).