(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone

C19H21N5O — CID 16662098

IUPAC(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone
SMILESN[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccccc1
InChIInChI=1S/C19H21N5O/c20-18(14-4-2-1-3-5-14)19(25)24-10-8-23(9-11-24)16-6-7-17-15(12-16)13-21-22-17/h1-7,12-13,18H,8-11,20H2,(H,21,22)/t18-/m1/s1
InChIKeyVHOKSFYGSMXMTN-GOSISDBHSA-N
MW335.41 g/mol
LogP1.91
Rot. Bonds3

About (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone

(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone (PubChem CID 16662098) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone
PubChem CID16662098
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone
SMILESN[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccccc1
InChIInChI=1S/C19H21N5O/c20-18(14-4-2-1-3-5-14)19(25)24-10-8-23(9-11-24)16-6-7-17-15(12-16)13-21-22-17/h1-7,12-13,18H,8-11,20H2,(H,21,22)/t18-/m1/s1
InChIKeyVHOKSFYGSMXMTN-GOSISDBHSA-N
XLogP1.91
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone (CID 16662098) is (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone is N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is VHOKSFYGSMXMTN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N5O/c20-18(14-4-2-1-3-5-14)19(25)24-10-8-23(9-11-24)16-6-7-17-15(12-16)13-21-22-17/h1-7,12-13,18H,8-11,20H2,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone?
(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 335.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 16662098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).