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

C20H23N5O — CID 16662112

IUPAC(2S)-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-/m0/s1
InChIKeyAGVLKBKXJWTFQT-IBGZPJMESA-N
MW349.44 g/mol
LogP2.67
Rot. Bonds4

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

(2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone (PubChem CID 16662112) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
PubChem CID16662112
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2S)-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-/m0/s1
InChIKeyAGVLKBKXJWTFQT-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone (CID 16662112) is (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2S)-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 (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The InChIKey is AGVLKBKXJWTFQT-IBGZPJMESA-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-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
(2S)-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 (2S)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 16662112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).