N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C20H18N8O2 — CID 59490412

IUPACN-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C20H18N8O2/c29-19(25-17-4-6-22-26-17)12-2-1-3-14(8-12)24-20(30)28-7-5-15-13(11-28)9-21-18-16(15)10-23-27-18/h1-4,6,8-10H,5,7,11H2,(H,24,30)(H,21,23,27)(H2,22,25,26,29)
InChIKeyJSMMERAEHSSGKG-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.52
Rot. Bonds3

About N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490412) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490412
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C20H18N8O2/c29-19(25-17-4-6-22-26-17)12-2-1-3-14(8-12)24-20(30)28-7-5-15-13(11-28)9-21-18-16(15)10-23-27-18/h1-4,6,8-10H,5,7,11H2,(H,24,30)(H,21,23,27)(H2,22,25,26,29)
InChIKeyJSMMERAEHSSGKG-UHFFFAOYSA-N
XLogP2.52
TPSA131.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490412) is N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(Nc1ccn[nH]1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.
What is the InChIKey of N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is JSMMERAEHSSGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c29-19(25-17-4-6-22-26-17)12-2-1-3-14(8-12)24-20(30)28-7-5-15-13(11-28)9-21-18-16(15)10-23-27-18/h1-4,6,8-10H,5,7,11H2,(H,24,30)(H,21,23,27)(H2,22,25,26,29).
What are the key properties of N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).