6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C24H29N7O3 — CID 68512775

IUPAC6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(=O)NC1CCN(c2cc(C(=O)Nc3ccc4[nH]cc(C)c4c3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C24H29N7O3/c1-15-13-25-20-4-3-17(11-19(15)20)27-23(33)21-12-22(31-6-5-18(14-31)26-16(2)32)29-24(28-21)30-7-9-34-10-8-30/h3-4,11-13,18,25H,5-10,14H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyFMNTYNFBEIRMHA-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.07
Rot. Bonds5

About 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 68512775) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID68512775
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(=O)NC1CCN(c2cc(C(=O)Nc3ccc4[nH]cc(C)c4c3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C24H29N7O3/c1-15-13-25-20-4-3-17(11-19(15)20)27-23(33)21-12-22(31-6-5-18(14-31)26-16(2)32)29-24(28-21)30-7-9-34-10-8-30/h3-4,11-13,18,25H,5-10,14H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyFMNTYNFBEIRMHA-UHFFFAOYSA-N
XLogP2.07
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 68512775) is 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CC(=O)NC1CCN(c2cc(C(=O)Nc3ccc4[nH]cc(C)c4c3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is FMNTYNFBEIRMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-15-13-25-20-4-3-17(11-19(15)20)27-23(33)21-12-22(31-6-5-18(14-31)26-16(2)32)29-24(28-21)30-7-9-34-10-8-30/h3-4,11-13,18,25H,5-10,14H2,1-2H3,(H,26,32)(H,27,33).
What are the key properties of 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68512775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).