(3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide

C22H33N5O3 — CID 92580226

IUPAC(3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C22H33N5O3/c1-15(2)24-20(28)18-14-27(21(29)16-5-3-4-6-16)13-17(18)19-7-8-23-22(25-19)26-9-11-30-12-10-26/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,24,28)/t17-,18-/m0/s1
InChIKeyQWGKPHZVCGEHRL-ROUUACIJSA-N
MW415.54 g/mol
LogP1.57
Rot. Bonds5

About (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide

(3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 92580226) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID92580226
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name(3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C22H33N5O3/c1-15(2)24-20(28)18-14-27(21(29)16-5-3-4-6-16)13-17(18)19-7-8-23-22(25-19)26-9-11-30-12-10-26/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,24,28)/t17-,18-/m0/s1
InChIKeyQWGKPHZVCGEHRL-ROUUACIJSA-N
XLogP1.57
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 92580226) is (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccnc(N2CCOCC2)n1.
What is the InChIKey of (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QWGKPHZVCGEHRL-ROUUACIJSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-15(2)24-20(28)18-14-27(21(29)16-5-3-4-6-16)13-17(18)19-7-8-23-22(25-19)26-9-11-30-12-10-26/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,24,28)/t17-,18-/m0/s1.
What are the key properties of (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(cyclopentanecarbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92580226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).