N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide

C20H24N6O — CID 161230175

IUPACN-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
SMILESCc1cc(-n2ncc3cc(CC(=O)N[C@H]4CN(C)C[C@@H]4C)ncc32)ccn1
InChIInChI=1S/C20H24N6O/c1-13-11-25(3)12-18(13)24-20(27)8-16-7-15-9-23-26(19(15)10-22-16)17-4-5-21-14(2)6-17/h4-7,9-10,13,18H,8,11-12H2,1-3H3,(H,24,27)/t13-,18-/m0/s1
InChIKeyUYQLVICVOKTPHO-UGSOOPFHSA-N
MW364.45 g/mol
LogP1.73
Rot. Bonds4

About N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide

N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (PubChem CID 161230175) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
PubChem CID161230175
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
SMILESCc1cc(-n2ncc3cc(CC(=O)N[C@H]4CN(C)C[C@@H]4C)ncc32)ccn1
InChIInChI=1S/C20H24N6O/c1-13-11-25(3)12-18(13)24-20(27)8-16-7-15-9-23-26(19(15)10-22-16)17-4-5-21-14(2)6-17/h4-7,9-10,13,18H,8,11-12H2,1-3H3,(H,24,27)/t13-,18-/m0/s1
InChIKeyUYQLVICVOKTPHO-UGSOOPFHSA-N
XLogP1.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 159211873
2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide
CID 159397030
1-[(3S,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 130451676
1-[(3R,4S)-1-methyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 160808802
1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 162138722
1-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416699
1-[(3R,4R)-1-methyl-4-(3-phenylpropyl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 158224666
1-[(3S,4R)-4-(4-fluorophenoxy)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 147419486
N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
CID 160656274
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416712
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 157061257
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416741

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (CID 161230175) is N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is Cc1cc(-n2ncc3cc(CC(=O)N[C@H]4CN(C)C[C@@H]4C)ncc32)ccn1.
What is the InChIKey of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The InChIKey is UYQLVICVOKTPHO-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-11-25(3)12-18(13)24-20(27)8-16-7-15-9-23-26(19(15)10-22-16)17-4-5-21-14(2)6-17/h4-7,9-10,13,18H,8,11-12H2,1-3H3,(H,24,27)/t13-,18-/m0/s1.
What are the key properties of N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 161230175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).