N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole

C26H28FN7O2 — CID 142448220

IUPACN-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole
SMILESCC1CC1c1cnn(C)c1.Cc1c(-c2cc3cc(NC=O)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C18H16FN5O2.C8H12N2/c1-9-12(6-23-18-17(9)21-2-3-26-18)11-4-10-5-14(24-8-25)22-7-13(10)16(20)15(11)19;1-6-3-8(6)7-4-9-10(2)5-7/h4-8,21H,2-3,20H2,1H3,(H,22,24,25);4-6,8H,3H2,1-2H3
InChIKeyMUPALNFBNLSKIV-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.24
Rot. Bonds4

About N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole

N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole (PubChem CID 142448220) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole.

Molecular Properties

Compound NameN-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole
PubChem CID142448220
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC NameN-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole
SMILESCC1CC1c1cnn(C)c1.Cc1c(-c2cc3cc(NC=O)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C18H16FN5O2.C8H12N2/c1-9-12(6-23-18-17(9)21-2-3-26-18)11-4-10-5-14(24-8-25)22-7-13(10)16(20)15(11)19;1-6-3-8(6)7-4-9-10(2)5-7/h4-8,21H,2-3,20H2,1H3,(H,22,24,25);4-6,8H,3H2,1-2H3
InChIKeyMUPALNFBNLSKIV-UHFFFAOYSA-N
XLogP4.24
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole?
The IUPAC name of N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole (CID 142448220) is N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole.
What is the SMILES notation for N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole?
The canonical SMILES for N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole is CC1CC1c1cnn(C)c1.Cc1c(-c2cc3cc(NC=O)ncc3c(N)c2F)cnc2c1NCCO2.
What is the InChIKey of N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole?
The InChIKey is MUPALNFBNLSKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2.C8H12N2/c1-9-12(6-23-18-17(9)21-2-3-26-18)11-4-10-5-14(24-8-25)22-7-13(10)16(20)15(11)19;1-6-3-8(6)7-4-9-10(2)5-7/h4-8,21H,2-3,20H2,1H3,(H,22,24,25);4-6,8H,3H2,1-2H3.
What are the key properties of N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole?
N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole has a molecular weight of 489.56 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]formamide;1-methyl-4-(2-methylcyclopropyl)pyrazole is sourced from PubChem (CID 142448220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).