N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

C20H25N5 — CID 129400762

IUPACN-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)C[C@@H]1CCN(Cc2cnn3ccccc23)C1
InChIInChI=1S/C20H25N5/c1-23(13-17-5-4-8-21-11-17)14-18-7-10-24(15-18)16-19-12-22-25-9-3-2-6-20(19)25/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m0/s1
InChIKeyJXIZMQWOSOVKPR-SFHVURJKSA-N
MW335.45 g/mol
LogP2.68
Rot. Bonds6

About N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 129400762) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID129400762
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)C[C@@H]1CCN(Cc2cnn3ccccc23)C1
InChIInChI=1S/C20H25N5/c1-23(13-17-5-4-8-21-11-17)14-18-7-10-24(15-18)16-19-12-22-25-9-3-2-6-20(19)25/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m0/s1
InChIKeyJXIZMQWOSOVKPR-SFHVURJKSA-N
XLogP2.68
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400764
1-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128967433
1-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400777
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770
5-[[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]thiophene-2-carbonitrile
CID 129400752
3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 154744472
1-[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129477138
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
3-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129400687

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 129400762) is N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine is CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cnn3ccccc23)C1.
What is the InChIKey of N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is JXIZMQWOSOVKPR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N5/c1-23(13-17-5-4-8-21-11-17)14-18-7-10-24(15-18)16-19-12-22-25-9-3-2-6-20(19)25/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 335.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 129400762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).