(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine

C22H22N4S — CID 92562330

IUPAC(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1cccnc1[C@H](Cc1ccsc1)NCc1ccccc1-n1cccn1
InChIInChI=1S/C22H22N4S/c1-17-6-4-10-23-22(17)20(14-18-9-13-27-16-18)24-15-19-7-2-3-8-21(19)26-12-5-11-25-26/h2-13,16,20,24H,14-15H2,1H3/t20-/m0/s1
InChIKeyCIRVADQAFPPWKM-FQEVSTJZSA-N
MW374.51 g/mol
LogP4.71
Rot. Bonds7

About (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine

(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 92562330) has the molecular formula C22H22N4S and a molecular weight of 374.51 g/mol. Its IUPAC name is (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID92562330
Molecular FormulaC22H22N4S
Molecular Weight374.51 g/mol
Exact Mass374.16
IUPAC Name(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1cccnc1[C@H](Cc1ccsc1)NCc1ccccc1-n1cccn1
InChIInChI=1S/C22H22N4S/c1-17-6-4-10-23-22(17)20(14-18-9-13-27-16-18)24-15-19-7-2-3-8-21(19)26-12-5-11-25-26/h2-13,16,20,24H,14-15H2,1H3/t20-/m0/s1
InChIKeyCIRVADQAFPPWKM-FQEVSTJZSA-N
XLogP4.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine with MolForge

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Related Compounds

1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 110222156
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
CID 92562333
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 46955539
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222226
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92562309
N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 61166529
N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine (CID 92562330) is (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine is Cc1cccnc1[C@H](Cc1ccsc1)NCc1ccccc1-n1cccn1.
What is the InChIKey of (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is CIRVADQAFPPWKM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4S/c1-17-6-4-10-23-22(17)20(14-18-9-13-27-16-18)24-15-19-7-2-3-8-21(19)26-12-5-11-25-26/h2-13,16,20,24H,14-15H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 374.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 92562330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).