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

C20H23N5O — CID 117073044

IUPAC(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
SMILESN[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccccc1
InChIInChI=1S/C20H23N5O/c21-19(14-4-2-1-3-5-14)20(26)25-10-8-16(9-11-25)23-17-6-7-18-15(12-17)13-22-24-18/h1-7,12-13,16,19,23H,8-11,21H2,(H,22,24)/t19-/m1/s1
InChIKeyAGVLKBKXJWTFQT-LJQANCHMSA-N
MW349.44 g/mol
LogP2.67
Rot. Bonds4

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

(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone (PubChem CID 117073044) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
PubChem CID117073044
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
SMILESN[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccccc1
InChIInChI=1S/C20H23N5O/c21-19(14-4-2-1-3-5-14)20(26)25-10-8-16(9-11-25)23-17-6-7-18-15(12-17)13-22-24-18/h1-7,12-13,16,19,23H,8-11,21H2,(H,22,24)/t19-/m1/s1
InChIKeyAGVLKBKXJWTFQT-LJQANCHMSA-N
XLogP2.67
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 117073054
2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 117073159
2-amino-2-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073147
2-amino-2-(3-fluorophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073145
2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 117073155
2-amino-2-(3-fluorophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 117073144
1-[2-amino-2-(3-bromophenyl)acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117073063
2-(4-bromophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073106
(2R)-2-amino-3-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]propan-1-one
CID 117073393
(2S)-2-amino-3-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]propan-1-one
CID 117073391
1-[2-amino-2-(4-bromophenyl)acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117073061
2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone
CID 117073092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone (CID 117073044) is (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone is N[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The InChIKey is AGVLKBKXJWTFQT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N5O/c21-19(14-4-2-1-3-5-14)20(26)25-10-8-16(9-11-25)23-17-6-7-18-15(12-17)13-22-24-18/h1-7,12-13,16,19,23H,8-11,21H2,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone has a molecular weight of 349.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 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-ylamino)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 117073044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).