(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone

C19H25N5O2 — CID 125178364

IUPAC(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cc(-c2ccccn2)n[nH]1)N1CCCO[C@@H](CN2CCCC2)C1
InChIInChI=1S/C19H25N5O2/c25-19(18-12-17(21-22-18)16-6-1-2-7-20-16)24-10-5-11-26-15(14-24)13-23-8-3-4-9-23/h1-2,6-7,12,15H,3-5,8-11,13-14H2,(H,21,22)/t15-/m0/s1
InChIKeySUZPQKLBBJQDJE-HNNXBMFYSA-N
MW355.44 g/mol
LogP1.80
Rot. Bonds4

About (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone

(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 125178364) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID125178364
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cc(-c2ccccn2)n[nH]1)N1CCCO[C@@H](CN2CCCC2)C1
InChIInChI=1S/C19H25N5O2/c25-19(18-12-17(21-22-18)16-6-1-2-7-20-16)24-10-5-11-26-15(14-24)13-23-8-3-4-9-23/h1-2,6-7,12,15H,3-5,8-11,13-14H2,(H,21,22)/t15-/m0/s1
InChIKeySUZPQKLBBJQDJE-HNNXBMFYSA-N
XLogP1.80
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 125159352

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 125178364) is (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone is O=C(c1cc(-c2ccccn2)n[nH]1)N1CCCO[C@@H](CN2CCCC2)C1.
What is the InChIKey of (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is SUZPQKLBBJQDJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(18-12-17(21-22-18)16-6-1-2-7-20-16)24-10-5-11-26-15(14-24)13-23-8-3-4-9-23/h1-2,6-7,12,15H,3-5,8-11,13-14H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 125178364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).