N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C68H49FN18 — CID 157333180

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3nccc4ccccc34)nc3ccccc23)n[nH]1.Fc1ccc2[nH]nc(Nc3nc(-c4nccc5ccccc45)nc4ccccc34)c2c1.c1ccc2c(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)nccc2c1
InChIInChI=1S/C24H15FN6.C23H18N6.C21H16N6/c25-15-9-10-20-18(13-15)23(31-30-20)28-22-17-7-3-4-8-19(17)27-24(29-22)21-16-6-2-1-5-14(16)11-12-26-21;1-2-6-16-14(5-1)11-12-24-21(16)23-25-18-8-4-3-7-17(18)22(27-23)26-20-13-19(28-29-20)15-9-10-15;1-13-12-18(27-26-13)24-20-16-8-4-5-9-17(16)23-21(25-20)19-15-7-3-2-6-14(15)10-11-22-19/h1-13H,(H2,27,28,29,30,31);1-8,11-13,15H,9-10H2,(H2,25,26,27,28,29);2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyBFNJLPWXKUHHNI-UHFFFAOYSA-N
MW1137.26 g/mol
LogP15.41
Rot. Bonds10

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 157333180) has the molecular formula C68H49FN18 and a molecular weight of 1137.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID157333180
Molecular FormulaC68H49FN18
Molecular Weight1137.26 g/mol
Exact Mass1136.44
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3nccc4ccccc34)nc3ccccc23)n[nH]1.Fc1ccc2[nH]nc(Nc3nc(-c4nccc5ccccc45)nc4ccccc34)c2c1.c1ccc2c(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)nccc2c1
InChIInChI=1S/C24H15FN6.C23H18N6.C21H16N6/c25-15-9-10-20-18(13-15)23(31-30-20)28-22-17-7-3-4-8-19(17)27-24(29-22)21-16-6-2-1-5-14(16)11-12-26-21;1-2-6-16-14(5-1)11-12-24-21(16)23-25-18-8-4-3-7-17(18)22(27-23)26-20-13-19(28-29-20)15-9-10-15;1-13-12-18(27-26-13)24-20-16-8-4-5-9-17(16)23-21(25-20)19-15-7-3-2-6-14(15)10-11-22-19/h1-13H,(H2,27,28,29,30,31);1-8,11-13,15H,9-10H2,(H2,25,26,27,28,29);2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyBFNJLPWXKUHHNI-UHFFFAOYSA-N
XLogP15.41
TPSA238.14 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001137.26
LogP ≤ 515.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 157333180) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(-c3nccc4ccccc34)nc3ccccc23)n[nH]1.Fc1ccc2[nH]nc(Nc3nc(-c4nccc5ccccc45)nc4ccccc34)c2c1.c1ccc2c(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)nccc2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is BFNJLPWXKUHHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6.C23H18N6.C21H16N6/c25-15-9-10-20-18(13-15)23(31-30-20)28-22-17-7-3-4-8-19(17)27-24(29-22)21-16-6-2-1-5-14(16)11-12-26-21;1-2-6-16-14(5-1)11-12-24-21(16)23-25-18-8-4-3-7-17(18)22(27-23)26-20-13-19(28-29-20)15-9-10-15;1-13-12-18(27-26-13)24-20-16-8-4-5-9-17(16)23-21(25-20)19-15-7-3-2-6-14(15)10-11-22-19/h1-13H,(H2,27,28,29,30,31);1-8,11-13,15H,9-10H2,(H2,25,26,27,28,29);2-12H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 1137.26 g/mol, XLogP of 15.41, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-isoquinolin-1-ylquinazolin-4-amine;2-isoquinolin-1-yl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 157333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).