(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

C17H21N5O2 — CID 74244984

IUPAC(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1cccn1C1CC1)N1CCN(c2ncccn2)CC(O)C1
InChIInChI=1S/C17H21N5O2/c23-14-11-20(9-10-21(12-14)17-18-6-2-7-19-17)16(24)15-3-1-8-22(15)13-4-5-13/h1-3,6-8,13-14,23H,4-5,9-12H2
InChIKeyVLLCYBHJOWFEAY-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.94
Rot. Bonds3

About (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 74244984) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID74244984
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1cccn1C1CC1)N1CCN(c2ncccn2)CC(O)C1
InChIInChI=1S/C17H21N5O2/c23-14-11-20(9-10-21(12-14)17-18-6-2-7-19-17)16(24)15-3-1-8-22(15)13-4-5-13/h1-3,6-8,13-14,23H,4-5,9-12H2
InChIKeyVLLCYBHJOWFEAY-UHFFFAOYSA-N
XLogP0.94
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 62716926
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
(1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329582
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000742
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
1-pyrimidin-2-yl-4-(thian-4-yl)-1,4-diazepan-6-ol
CID 86285738
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone (CID 74244984) is (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone is O=C(c1cccn1C1CC1)N1CCN(c2ncccn2)CC(O)C1.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is VLLCYBHJOWFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-14-11-20(9-10-21(12-14)17-18-6-2-7-19-17)16(24)15-3-1-8-22(15)13-4-5-13/h1-3,6-8,13-14,23H,4-5,9-12H2.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 74244984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).