(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone

C20H25N5O2 — CID 134704250

IUPAC(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(CN2CCCN(C(=O)c3cnc(C4CC4)nc3)CC2)cn1
InChIInChI=1S/C20H25N5O2/c1-27-18-6-3-15(11-21-18)14-24-7-2-8-25(10-9-24)20(26)17-12-22-19(23-13-17)16-4-5-16/h3,6,11-13,16H,2,4-5,7-10,14H2,1H3
InChIKeyWBSSUFNQIORBKD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.11
Rot. Bonds5

About (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 134704250) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID134704250
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(CN2CCCN(C(=O)c3cnc(C4CC4)nc3)CC2)cn1
InChIInChI=1S/C20H25N5O2/c1-27-18-6-3-15(11-21-18)14-24-7-2-8-25(10-9-24)20(26)17-12-22-19(23-13-17)16-4-5-16/h3,6,11-13,16H,2,4-5,7-10,14H2,1H3
InChIKeyWBSSUFNQIORBKD-UHFFFAOYSA-N
XLogP2.11
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134707551
(6-methoxy-3-pyridinyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56824064
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
1-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 134706407
(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185138
(2-cyclopropylpyrimidin-5-yl)-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154918673
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
(2-cyclopropylpyrimidin-5-yl)-[4-[(E)-4-methylhex-3-enyl]-1,4-diazepan-1-yl]methanone
CID 135106483
[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
CID 118397054
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 53192439

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone (CID 134704250) is (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone is COc1ccc(CN2CCCN(C(=O)c3cnc(C4CC4)nc3)CC2)cn1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is WBSSUFNQIORBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-6-3-15(11-21-18)14-24-7-2-8-25(10-9-24)20(26)17-12-22-19(23-13-17)16-4-5-16/h3,6,11-13,16H,2,4-5,7-10,14H2,1H3.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134704250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).