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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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).