2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide

C20H18Cl2N8O — CID 156539403

IUPAC2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide
SMILESCC1(C)CCN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2ccc3cc(Cl)nn3c21
InChIInChI=1S/C20H18Cl2N8O/c1-20(2)5-8-28(15-4-3-13-10-16(22)27-29(13)17(15)20)19(31)26-12-9-14(21)18(23-11-12)30-24-6-7-25-30/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,26,31)
InChIKeyUUYALTMIMFCZBI-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.34
Rot. Bonds2

About 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide

2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide (PubChem CID 156539403) has the molecular formula C20H18Cl2N8O and a molecular weight of 457.33 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide
PubChem CID156539403
Molecular FormulaC20H18Cl2N8O
Molecular Weight457.33 g/mol
Exact Mass456.10
IUPAC Name2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide
SMILESCC1(C)CCN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2ccc3cc(Cl)nn3c21
InChIInChI=1S/C20H18Cl2N8O/c1-20(2)5-8-28(15-4-3-13-10-16(22)27-29(13)17(15)20)19(31)26-12-9-14(21)18(23-11-12)30-24-6-7-25-30/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,26,31)
InChIKeyUUYALTMIMFCZBI-UHFFFAOYSA-N
XLogP4.34
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide?
The IUPAC name of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide (CID 156539403) is 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide?
The canonical SMILES for 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide is CC1(C)CCN(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2ccc3cc(Cl)nn3c21.
What is the InChIKey of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide?
The InChIKey is UUYALTMIMFCZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N8O/c1-20(2)5-8-28(15-4-3-13-10-16(22)27-29(13)17(15)20)19(31)26-12-9-14(21)18(23-11-12)30-24-6-7-25-30/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,26,31).
What are the key properties of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide?
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide has a molecular weight of 457.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-9,9-dimethyl-7,8-dihydropyrazolo[1,5-a][1,5]naphthyridine-6-carboxamide is sourced from PubChem (CID 156539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).