(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H16ClN5O — CID 46556347

IUPAC(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16ClN5O/c18-13-2-3-14-12(10-13)11-15(21-14)16(24)22-6-8-23(9-7-22)17-19-4-1-5-20-17/h1-5,10-11,21H,6-9H2
InChIKeyAVCKPBAMRDGPIP-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.57
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 46556347) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID46556347
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16ClN5O/c18-13-2-3-14-12(10-13)11-15(21-14)16(24)22-6-8-23(9-7-22)17-19-4-1-5-20-17/h1-5,10-11,21H,6-9H2
InChIKeyAVCKPBAMRDGPIP-UHFFFAOYSA-N
XLogP2.57
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
CID 131965590
(5-chloro-1H-indol-2-yl)-[(3S)-3-imidazo[4,5-b]pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95826236
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
(5-chloro-1H-indol-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 55683124
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93077023
(5-chloro-1H-indol-2-yl)-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]methanone
CID 53006023

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 46556347) is (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AVCKPBAMRDGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-2-3-14-12(10-13)11-15(21-14)16(24)22-6-8-23(9-7-22)17-19-4-1-5-20-17/h1-5,10-11,21H,6-9H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 341.80 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 46556347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).