1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile

C28H21N5 — CID 70942060

IUPAC1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3cnc4ncc(C5(c6cccc7cccnc67)CC5)n4c3)cc2)CC1
InChIInChI=1S/C28H21N5/c29-18-27(10-11-27)22-8-6-19(7-9-22)21-15-31-26-32-16-24(33(26)17-21)28(12-13-28)23-5-1-3-20-4-2-14-30-25(20)23/h1-9,14-17H,10-13H2
InChIKeyAYQVYWHPEVSDTR-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.58
Rot. Bonds4

About 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 70942060) has the molecular formula C28H21N5 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID70942060
Molecular FormulaC28H21N5
Molecular Weight427.51 g/mol
Exact Mass427.18
IUPAC Name1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3cnc4ncc(C5(c6cccc7cccnc67)CC5)n4c3)cc2)CC1
InChIInChI=1S/C28H21N5/c29-18-27(10-11-27)22-8-6-19(7-9-22)21-15-31-26-32-16-24(33(26)17-21)28(12-13-28)23-5-1-3-20-4-2-14-30-25(20)23/h1-9,14-17H,10-13H2
InChIKeyAYQVYWHPEVSDTR-UHFFFAOYSA-N
XLogP5.58
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

Panulisib
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Bag-956
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1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
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4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
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3-(7-Methylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile
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6-Imidazol-1-ylmethyl-8-phenyl-quinoline
CID 10565073
6-(4-{[4-(2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylpyridine-3-carbonitrile
CID 11260243
6-(4-{[4-(1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylpyridine-3-carbonitrile
CID 11374804

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile (CID 70942060) is 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3cnc4ncc(C5(c6cccc7cccnc67)CC5)n4c3)cc2)CC1.
What is the InChIKey of 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is AYQVYWHPEVSDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5/c29-18-27(10-11-27)22-8-6-19(7-9-22)21-15-31-26-32-16-24(33(26)17-21)28(12-13-28)23-5-1-3-20-4-2-14-30-25(20)23/h1-9,14-17H,10-13H2.
What are the key properties of 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-quinolin-8-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 70942060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).