2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide

C23H25N7O2S — CID 71053514

IUPAC2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@H]1CN(c2ccncc2NC(=O)c2csc(N3C(=O)C(N)c4ccccc43)n2)CCN1
InChIInChI=1S/C23H25N7O2S/c1-2-14-12-29(10-9-26-14)19-7-8-25-11-16(19)27-21(31)17-13-33-23(28-17)30-18-6-4-3-5-15(18)20(24)22(30)32/h3-8,11,13-14,20,26H,2,9-10,12,24H2,1H3,(H,27,31)/t14-,20?/m0/s1
InChIKeyXWGCSRXRPDIKJZ-PVCZSOGJSA-N
MW463.57 g/mol
LogP2.66
Rot. Bonds5

About 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71053514) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71053514
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Name2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@H]1CN(c2ccncc2NC(=O)c2csc(N3C(=O)C(N)c4ccccc43)n2)CCN1
InChIInChI=1S/C23H25N7O2S/c1-2-14-12-29(10-9-26-14)19-7-8-25-11-16(19)27-21(31)17-13-33-23(28-17)30-18-6-4-3-5-15(18)20(24)22(30)32/h3-8,11,13-14,20,26H,2,9-10,12,24H2,1H3,(H,27,31)/t14-,20?/m0/s1
InChIKeyXWGCSRXRPDIKJZ-PVCZSOGJSA-N
XLogP2.66
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71053514) is 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is CC[C@H]1CN(c2ccncc2NC(=O)c2csc(N3C(=O)C(N)c4ccccc43)n2)CCN1.
What is the InChIKey of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XWGCSRXRPDIKJZ-PVCZSOGJSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-2-14-12-29(10-9-26-14)19-7-8-25-11-16(19)27-21(31)17-13-33-23(28-17)30-18-6-4-3-5-15(18)20(24)22(30)32/h3-8,11,13-14,20,26H,2,9-10,12,24H2,1H3,(H,27,31)/t14-,20?/m0/s1.
What are the key properties of 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 463.57 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-3H-indol-1-yl)-N-[4-[(3S)-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71053514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).