4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid

C19H24N6O2 — CID 67362388

IUPAC4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
SMILESO=C(O)N1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H24N6O2/c26-19(27)25-11-3-10-24(12-13-25)18-17(23-8-1-2-9-23)21-14-16(22-18)15-4-6-20-7-5-15/h4-7,14H,1-3,8-13H2,(H,26,27)
InChIKeyHVKYUFJFYRBZMP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.33
Rot. Bonds3

About 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid

4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid (PubChem CID 67362388) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
PubChem CID67362388
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
SMILESO=C(O)N1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H24N6O2/c26-19(27)25-11-3-10-24(12-13-25)18-17(23-8-1-2-9-23)21-14-16(22-18)15-4-6-20-7-5-15/h4-7,14H,1-3,8-13H2,(H,26,27)
InChIKeyHVKYUFJFYRBZMP-UHFFFAOYSA-N
XLogP2.33
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid with MolForge

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Related Compounds

4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 87370649
2-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]ethanol;trihydrochloride
CID 67379907
3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
CID 11694866
4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 67363281
3-piperidin-1-yl-N-piperidin-3-yl-6-pyridin-4-ylpyrazin-2-amine
CID 11580881
4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid
CID 150512037
4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 86716680
4-[2-(2-chloro-4-pyridinyl)pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 151425197
4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
CID 87383897
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid
CID 141026658
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425

Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid?
The IUPAC name of 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid (CID 67362388) is 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid.
What is the SMILES notation for 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid?
The canonical SMILES for 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid is O=C(O)N1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1.
What is the InChIKey of 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid?
The InChIKey is HVKYUFJFYRBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-19(27)25-11-3-10-24(12-13-25)18-17(23-8-1-2-9-23)21-14-16(22-18)15-4-6-20-7-5-15/h4-7,14H,1-3,8-13H2,(H,26,27).
What are the key properties of 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid?
4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid is sourced from PubChem (CID 67362388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).