N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide

C30H37N7O3 — CID 118514014

IUPACN-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESCCOc1ncccc1[C@]1(NC(=O)N2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)C(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C30H37N7O3/c1-4-40-26-23(6-5-11-32-26)30(24-14-21(15-31)7-8-25(24)33-27(30)38)34-28(39)37-18-29(19-37)16-36(17-29)22-9-12-35(13-10-22)20(2)3/h5-8,11,14,20,22H,4,9-10,12-13,16-19H2,1-3H3,(H,33,38)(H,34,39)/t30-/m1/s1
InChIKeyUGKAVMQMOZEMHZ-SSEXGKCCSA-N
MW543.67 g/mol
LogP2.75
Rot. Bonds6

About N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide

N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide (PubChem CID 118514014) has the molecular formula C30H37N7O3 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
PubChem CID118514014
Molecular FormulaC30H37N7O3
Molecular Weight543.67 g/mol
Exact Mass543.30
IUPAC NameN-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESCCOc1ncccc1[C@]1(NC(=O)N2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)C(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C30H37N7O3/c1-4-40-26-23(6-5-11-32-26)30(24-14-21(15-31)7-8-25(24)33-27(30)38)34-28(39)37-18-29(19-37)16-36(17-29)22-9-12-35(13-10-22)20(2)3/h5-8,11,14,20,22H,4,9-10,12-13,16-19H2,1-3H3,(H,33,38)(H,34,39)/t30-/m1/s1
InChIKeyUGKAVMQMOZEMHZ-SSEXGKCCSA-N
XLogP2.75
TPSA113.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.67
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide (CID 118514014) is N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide is CCOc1ncccc1[C@]1(NC(=O)N2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)C(=O)Nc2ccc(C#N)cc21.
What is the InChIKey of N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The InChIKey is UGKAVMQMOZEMHZ-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H37N7O3/c1-4-40-26-23(6-5-11-32-26)30(24-14-21(15-31)7-8-25(24)33-27(30)38)34-28(39)37-18-29(19-37)16-36(17-29)22-9-12-35(13-10-22)20(2)3/h5-8,11,14,20,22H,4,9-10,12-13,16-19H2,1-3H3,(H,33,38)(H,34,39)/t30-/m1/s1.
What are the key properties of N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?
N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide has a molecular weight of 543.67 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 118514014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).