N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

C23H31N5O2 — CID 95112402

IUPACN-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCC(C)Cn1c(=O)c2cc(C(=O)NCCN3CCC[C@H](C)C3)nn2c2ccccc21
InChIInChI=1S/C23H31N5O2/c1-16(2)14-27-19-8-4-5-9-20(19)28-21(23(27)30)13-18(25-28)22(29)24-10-12-26-11-6-7-17(3)15-26/h4-5,8-9,13,16-17H,6-7,10-12,14-15H2,1-3H3,(H,24,29)/t17-/m0/s1
InChIKeyGBZUKZWBFIPAAH-KRWDZBQOSA-N
MW409.53 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 95112402) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID95112402
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCC(C)Cn1c(=O)c2cc(C(=O)NCCN3CCC[C@H](C)C3)nn2c2ccccc21
InChIInChI=1S/C23H31N5O2/c1-16(2)14-27-19-8-4-5-9-20(19)28-21(23(27)30)13-18(25-28)22(29)24-10-12-26-11-6-7-17(3)15-26/h4-5,8-9,13,16-17H,6-7,10-12,14-15H2,1-3H3,(H,24,29)/t17-/m0/s1
InChIKeyGBZUKZWBFIPAAH-KRWDZBQOSA-N
XLogP2.77
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (CID 95112402) is N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is CC(C)Cn1c(=O)c2cc(C(=O)NCCN3CCC[C@H](C)C3)nn2c2ccccc21.
What is the InChIKey of N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is GBZUKZWBFIPAAH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16(2)14-27-19-8-4-5-9-20(19)28-21(23(27)30)13-18(25-28)22(29)24-10-12-26-11-6-7-17(3)15-26/h4-5,8-9,13,16-17H,6-7,10-12,14-15H2,1-3H3,(H,24,29)/t17-/m0/s1.
What are the key properties of N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 95112402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).