N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C20H27N5 — CID 46989405

IUPACN-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cccn1-c1ccccn1)C(C)C
InChIInChI=1S/C20H27N5/c1-15(2)24(14-19-16(3)22-23(5)17(19)4)13-18-9-8-12-25(18)20-10-6-7-11-21-20/h6-12,15H,13-14H2,1-5H3
InChIKeyAMPKGQMUKMBDRW-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.63
Rot. Bonds6

About N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 46989405) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID46989405
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cccn1-c1ccccn1)C(C)C
InChIInChI=1S/C20H27N5/c1-15(2)24(14-19-16(3)22-23(5)17(19)4)13-18-9-8-12-25(18)20-10-6-7-11-21-20/h6-12,15H,13-14H2,1-5H3
InChIKeyAMPKGQMUKMBDRW-UHFFFAOYSA-N
XLogP3.63
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine with MolForge

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
(R)-Zinc-3573
CID 95882507
2-(4-(4-Fluorophenyl)-5-(1h-Pyrrol-1-Yl)-1h-Pyrazol-1-Yl)-N,N-Dimethylethanamine
CID 71306441
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
(S)-Zinc-5373
CID 95882508
Arylpyrazole, 23
CID 44143423
Arylpyrazole, 24
CID 44143424
US10399985, Example 25
CID 118278077
US10399985, Example 28
CID 118278095
US10399985, Example 16
CID 118278207

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 46989405) is N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1CN(Cc1cccn1-c1ccccn1)C(C)C.
What is the InChIKey of N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is AMPKGQMUKMBDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-15(2)24(14-19-16(3)22-23(5)17(19)4)13-18-9-8-12-25(18)20-10-6-7-11-21-20/h6-12,15H,13-14H2,1-5H3.
What are the key properties of N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 337.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 46989405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).