N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine

C20H25N5O — CID 175955971

IUPACN-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine
SMILESCOc1ccc(CN(C)C2CN(c3n[nH]c4ccncc34)CC2C)cc1
InChIInChI=1S/C20H25N5O/c1-14-11-25(20-17-10-21-9-8-18(17)22-23-20)13-19(14)24(2)12-15-4-6-16(26-3)7-5-15/h4-10,14,19H,11-13H2,1-3H3,(H,22,23)
InChIKeyCPDFPWKKZPDTCO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine

N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine (PubChem CID 175955971) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine
PubChem CID175955971
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine
SMILESCOc1ccc(CN(C)C2CN(c3n[nH]c4ccncc34)CC2C)cc1
InChIInChI=1S/C20H25N5O/c1-14-11-25(20-17-10-21-9-8-18(17)22-23-20)13-19(14)24(2)12-15-4-6-16(26-3)7-5-15/h4-10,14,19H,11-13H2,1-3H3,(H,22,23)
InChIKeyCPDFPWKKZPDTCO-UHFFFAOYSA-N
XLogP2.92
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[3-[(4-methoxyphenyl)methyl-methylamino]-4-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170352170
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128966899
[(3R,4R)-3-hydroxy-4-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 133129004
N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine
CID 171481716
1-(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)-N,N-dimethylmethanamine
CID 77105821
2-[(4-methoxyphenyl)methyl-methylamino]cycloheptane-1-carbonitrile
CID 61420333
3-[(4-iodo-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamoyl]azetidine-1-carboxylic acid
CID 122610707
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 81249417
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
CID 43448916

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine (CID 175955971) is N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine is COc1ccc(CN(C)C2CN(c3n[nH]c4ccncc34)CC2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine?
The InChIKey is CPDFPWKKZPDTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-11-25(20-17-10-21-9-8-18(17)22-23-20)13-19(14)24(2)12-15-4-6-16(26-3)7-5-15/h4-10,14,19H,11-13H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine?
N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine has a molecular weight of 351.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1-(1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 175955971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).