[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

C18H24N4O2 — CID 97069676

IUPAC[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2[nH]ncc2c1
InChIInChI=1S/C18H24N4O2/c1-12-9-13-11-19-20-17(13)14(10-12)18(24)22-7-5-21(6-8-22)15-3-2-4-16(15)23/h9-11,15-16,23H,2-8H2,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyYGDHRMAFAFDZQY-HZPDHXFCSA-N
MW328.42 g/mol
LogP1.54
Rot. Bonds2

About [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone (PubChem CID 97069676) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
PubChem CID97069676
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2[nH]ncc2c1
InChIInChI=1S/C18H24N4O2/c1-12-9-13-11-19-20-17(13)14(10-12)18(24)22-7-5-21(6-8-22)15-3-2-4-16(15)23/h9-11,15-16,23H,2-8H2,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyYGDHRMAFAFDZQY-HZPDHXFCSA-N
XLogP1.54
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The IUPAC name of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone (CID 97069676) is [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone.
What is the SMILES notation for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The canonical SMILES for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone is Cc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2[nH]ncc2c1.
What is the InChIKey of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The InChIKey is YGDHRMAFAFDZQY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-9-13-11-19-20-17(13)14(10-12)18(24)22-7-5-21(6-8-22)15-3-2-4-16(15)23/h9-11,15-16,23H,2-8H2,1H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone?
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone is sourced from PubChem (CID 97069676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).