N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole

C32H29N7O2 — CID 142447717

IUPACN-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
SMILESCc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.Cn1cccn1
InChIInChI=1S/C28H23N5O2.C4H6N2/c1-16-11-19(28-32-24(15-35-28)17-5-3-2-4-6-17)9-10-21(16)23-12-20-13-25(33-27(34)18-7-8-18)30-14-22(20)26(29)31-23;1-6-4-2-3-5-6/h2-6,9-15,18H,7-8H2,1H3,(H2,29,31)(H,30,33,34);2-4H,1H3
InChIKeyKTEPCRBFQDJDJM-UHFFFAOYSA-N
MW543.63 g/mol
LogP6.28
Rot. Bonds5

About N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole

N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole (PubChem CID 142447717) has the molecular formula C32H29N7O2 and a molecular weight of 543.63 g/mol. Its IUPAC name is N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole.

Molecular Properties

Compound NameN-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
PubChem CID142447717
Molecular FormulaC32H29N7O2
Molecular Weight543.63 g/mol
Exact Mass543.24
IUPAC NameN-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
SMILESCc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.Cn1cccn1
InChIInChI=1S/C28H23N5O2.C4H6N2/c1-16-11-19(28-32-24(15-35-28)17-5-3-2-4-6-17)9-10-21(16)23-12-20-13-25(33-27(34)18-7-8-18)30-14-22(20)26(29)31-23;1-6-4-2-3-5-6/h2-6,9-15,18H,7-8H2,1H3,(H2,29,31)(H,30,33,34);2-4H,1H3
InChIKeyKTEPCRBFQDJDJM-UHFFFAOYSA-N
XLogP6.28
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-((8-amino-7-fluoro-6-(4-methyl-6-(oxazol-2-yl)pyridin-3-yl)isoquinolin-3-yl)amino)-4,6-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
CID 135342876
(1S,2S,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343616
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836623
2-[2-(dimethylamino)ethoxy]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056508
(1R,2S,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342716
(1R,2R,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342978
(1S,2R,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343178
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138585654
US11247990, Example 218
CID 138715354
3-(1-methylpiperidin-4-yl)oxy-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]benzamide
CID 132056525
trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344559
N-(8-amino-6-(2-fluoro-6-methyl-4-(oxazol-2-yl)phenyl)-2,7-naphthyridin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468745

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
The IUPAC name of N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole (CID 142447717) is N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole.
What is the SMILES notation for N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
The canonical SMILES for N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole is Cc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.Cn1cccn1.
What is the InChIKey of N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
The InChIKey is KTEPCRBFQDJDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2.C4H6N2/c1-16-11-19(28-32-24(15-35-28)17-5-3-2-4-6-17)9-10-21(16)23-12-20-13-25(33-27(34)18-7-8-18)30-14-22(20)26(29)31-23;1-6-4-2-3-5-6/h2-6,9-15,18H,7-8H2,1H3,(H2,29,31)(H,30,33,34);2-4H,1H3.
What are the key properties of N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole has a molecular weight of 543.63 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole is sourced from PubChem (CID 142447717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).