N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C20H30N6O2 — CID 170352001

IUPACN-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CCC(C)(N(C)C)C1)nn2C1CCCCO1
InChIInChI=1S/C20H30N6O2/c1-14(27)22-17-11-16-15(12-21-17)19(23-26(16)18-7-5-6-10-28-18)25-9-8-20(2,13-25)24(3)4/h11-12,18H,5-10,13H2,1-4H3,(H,21,22,27)
InChIKeyPMDVNHMWVOOEHC-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.62
Rot. Bonds4

About N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170352001) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170352001
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CCC(C)(N(C)C)C1)nn2C1CCCCO1
InChIInChI=1S/C20H30N6O2/c1-14(27)22-17-11-16-15(12-21-17)19(23-26(16)18-7-5-6-10-28-18)25-9-8-20(2,13-25)24(3)4/h11-12,18H,5-10,13H2,1-4H3,(H,21,22,27)
InChIKeyPMDVNHMWVOOEHC-UHFFFAOYSA-N
XLogP2.62
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351720
N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170352292
tert-butyl 3-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170351522
N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide
CID 68666867
tert-butyl N-[(3S,4S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-4-methylpyrrolidin-3-yl]carbamate
CID 177282312
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577292
4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
CID 171567865
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
tert-butyl 5-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 170352245
N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577482
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170352001) is N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CCC(C)(N(C)C)C1)nn2C1CCCCO1.
What is the InChIKey of N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is PMDVNHMWVOOEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-14(27)22-17-11-16-15(12-21-17)19(23-26(16)18-7-5-6-10-28-18)25-9-8-20(2,13-25)24(3)4/h11-12,18H,5-10,13H2,1-4H3,(H,21,22,27).
What are the key properties of N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170352001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).