carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate

C22H17N7O3 — CID 175346570

IUPACcarbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate
SMILESCn1cc(-c2nn(C)c3ccc(-c4nc(C(=O)OC(N)=O)cc5cccnc45)cc23)cn1
InChIInChI=1S/C22H17N7O3/c1-28-11-14(10-25-28)18-15-8-13(5-6-17(15)29(2)27-18)20-19-12(4-3-7-24-19)9-16(26-20)21(30)32-22(23)31/h3-11H,1-2H3,(H2,23,31)
InChIKeyFYTMQOCPNCSQLB-UHFFFAOYSA-N
MW427.42 g/mol
LogP2.82
Rot. Bonds3

About carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate

carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate (PubChem CID 175346570) has the molecular formula C22H17N7O3 and a molecular weight of 427.42 g/mol. Its IUPAC name is carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namecarbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate
PubChem CID175346570
Molecular FormulaC22H17N7O3
Molecular Weight427.42 g/mol
Exact Mass427.14
IUPAC Namecarbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate
SMILESCn1cc(-c2nn(C)c3ccc(-c4nc(C(=O)OC(N)=O)cc5cccnc45)cc23)cn1
InChIInChI=1S/C22H17N7O3/c1-28-11-14(10-25-28)18-15-8-13(5-6-17(15)29(2)27-18)20-19-12(4-3-7-24-19)9-16(26-20)21(30)32-22(23)31/h3-11H,1-2H3,(H2,23,31)
InChIKeyFYTMQOCPNCSQLB-UHFFFAOYSA-N
XLogP2.82
TPSA130.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate?
The IUPAC name of carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate (CID 175346570) is carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate is Cn1cc(-c2nn(C)c3ccc(-c4nc(C(=O)OC(N)=O)cc5cccnc45)cc23)cn1.
What is the InChIKey of carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate?
The InChIKey is FYTMQOCPNCSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O3/c1-28-11-14(10-25-28)18-15-8-13(5-6-17(15)29(2)27-18)20-19-12(4-3-7-24-19)9-16(26-20)21(30)32-22(23)31/h3-11H,1-2H3,(H2,23,31).
What are the key properties of carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate?
carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate has a molecular weight of 427.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 175346570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).