(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone

C21H23N5O — CID 113203593

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
SMILESO=C(C1CCc2[nH]c3ccccc3c2C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H23N5O/c27-20(25-10-12-26(13-11-25)21-22-8-3-9-23-21)15-6-7-19-17(14-15)16-4-1-2-5-18(16)24-19/h1-5,8-9,15,24H,6-7,10-14H2
InChIKeyYGZOZSKQXBJDGX-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.41
Rot. Bonds2

About (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone (PubChem CID 113203593) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
PubChem CID113203593
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
SMILESO=C(C1CCc2[nH]c3ccccc3c2C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H23N5O/c27-20(25-10-12-26(13-11-25)21-22-8-3-9-23-21)15-6-7-19-17(14-15)16-4-1-2-5-18(16)24-19/h1-5,8-9,15,24H,6-7,10-14H2
InChIKeyYGZOZSKQXBJDGX-UHFFFAOYSA-N
XLogP2.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
[4-(4-fluorophenyl)piperazin-1-yl]-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203576
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885497
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680605
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone (CID 113203593) is (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone is O=C(C1CCc2[nH]c3ccccc3c2C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The InChIKey is YGZOZSKQXBJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20(25-10-12-26(13-11-25)21-22-8-3-9-23-21)15-6-7-19-17(14-15)16-4-1-2-5-18(16)24-19/h1-5,8-9,15,24H,6-7,10-14H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone is sourced from PubChem (CID 113203593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).