N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one

C34H37N9O5S — CID 78320451

IUPACN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.O=C1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C27H32N8O2.C7H5NO3S/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37);1-4H,(H,8,9)
InChIKeyNSZUJUZURYPXBL-UHFFFAOYSA-N
MW683.80 g/mol
LogP3.41
Rot. Bonds7

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 78320451) has the molecular formula C34H37N9O5S and a molecular weight of 683.80 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID78320451
Molecular FormulaC34H37N9O5S
Molecular Weight683.80 g/mol
Exact Mass683.26
IUPAC NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.O=C1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C27H32N8O2.C7H5NO3S/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37);1-4H,(H,8,9)
InChIKeyNSZUJUZURYPXBL-UHFFFAOYSA-N
XLogP3.41
TPSA172.69 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.80
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one (CID 78320451) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.O=C1NS(=O)(=O)c2ccccc21.
What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is NSZUJUZURYPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2.C7H5NO3S/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37);1-4H,(H,8,9).
What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one?
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 683.80 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 78320451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).