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

C25H26N6O — CID 159211873

IUPACN-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
SMILESCc1cc(-n2ncc3cc(CC(=O)NC4CN(C)CC4c4ccccc4)ncc32)ccn1
InChIInChI=1S/C25H26N6O/c1-17-10-21(8-9-26-17)31-24-14-27-20(11-19(24)13-28-31)12-25(32)29-23-16-30(2)15-22(23)18-6-4-3-5-7-18/h3-11,13-14,22-23H,12,15-16H2,1-2H3,(H,29,32)
InChIKeyKQOYVKMQZHWCCP-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.88
Rot. Bonds5

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

N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (PubChem CID 159211873) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
PubChem CID159211873
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
SMILESCc1cc(-n2ncc3cc(CC(=O)NC4CN(C)CC4c4ccccc4)ncc32)ccn1
InChIInChI=1S/C25H26N6O/c1-17-10-21(8-9-26-17)31-24-14-27-20(11-19(24)13-28-31)12-25(32)29-23-16-30(2)15-22(23)18-6-4-3-5-7-18/h3-11,13-14,22-23H,12,15-16H2,1-2H3,(H,29,32)
InChIKeyKQOYVKMQZHWCCP-UHFFFAOYSA-N
XLogP2.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 161230175
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
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-[(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-[(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-[(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
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
(4S)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-5-morpholin-4-yl-4-phenylpentan-2-one
CID 152790741
(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 158816453
N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 124887001
N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
CID 160656274

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (CID 159211873) is N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is Cc1cc(-n2ncc3cc(CC(=O)NC4CN(C)CC4c4ccccc4)ncc32)ccn1.
What is the InChIKey of N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The InChIKey is KQOYVKMQZHWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-10-21(8-9-26-17)31-24-14-27-20(11-19(24)13-28-31)12-25(32)29-23-16-30(2)15-22(23)18-6-4-3-5-7-18/h3-11,13-14,22-23H,12,15-16H2,1-2H3,(H,29,32).
What are the key properties of N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 159211873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).