(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

C16H22N6O4 — CID 6443770

IUPAC(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H22N6O4/c17-14(24)12-2-1-7-22(12)16(26)11(8-9-5-6-18-21-9)20-15(25)10-3-4-13(23)19-10/h5-6,10-12H,1-4,7-8H2,(H2,17,24)(H,18,21)(H,19,23)(H,20,25)/t10-,11-,12-/m0/s1
InChIKeyYMUAIJKCQCFCKS-SRVKXCTJSA-N
MW362.39 g/mol
LogP-1.81
Rot. Bonds6

About (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 6443770) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID6443770
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H22N6O4/c17-14(24)12-2-1-7-22(12)16(26)11(8-9-5-6-18-21-9)20-15(25)10-3-4-13(23)19-10/h5-6,10-12H,1-4,7-8H2,(H2,17,24)(H,18,21)(H,19,23)(H,20,25)/t10-,11-,12-/m0/s1
InChIKeyYMUAIJKCQCFCKS-SRVKXCTJSA-N
XLogP-1.81
TPSA150.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 6443770) is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YMUAIJKCQCFCKS-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H22N6O4/c17-14(24)12-2-1-7-22(12)16(26)11(8-9-5-6-18-21-9)20-15(25)10-3-4-13(23)19-10/h5-6,10-12H,1-4,7-8H2,(H2,17,24)(H,18,21)(H,19,23)(H,20,25)/t10-,11-,12-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of -1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 6443770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).