N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide

C24H33N7O2 — CID 167846006

IUPACN-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CC[C@H](NC(=O)c3nccn4cc(C)nc34)C2)cnn1C(CC)CC
InChIInChI=1S/C24H33N7O2/c1-5-18(6-2)31-20(7-3)19(13-26-31)23(32)28-16-8-9-17(12-16)29-24(33)21-22-27-15(4)14-30(22)11-10-25-21/h10-11,13-14,16-18H,5-9,12H2,1-4H3,(H,28,32)(H,29,33)/t16-,17+/m1/s1
InChIKeyAAQVAPSLQVZYAY-SJORKVTESA-N
MW451.58 g/mol
LogP3.24
Rot. Bonds8

About N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide

N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 167846006) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID167846006
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CC[C@H](NC(=O)c3nccn4cc(C)nc34)C2)cnn1C(CC)CC
InChIInChI=1S/C24H33N7O2/c1-5-18(6-2)31-20(7-3)19(13-26-31)23(32)28-16-8-9-17(12-16)29-24(33)21-22-27-15(4)14-30(22)11-10-25-21/h10-11,13-14,16-18H,5-9,12H2,1-4H3,(H,28,32)(H,29,33)/t16-,17+/m1/s1
InChIKeyAAQVAPSLQVZYAY-SJORKVTESA-N
XLogP3.24
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide (CID 167846006) is N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide is CCc1c(C(=O)N[C@@H]2CC[C@H](NC(=O)c3nccn4cc(C)nc34)C2)cnn1C(CC)CC.
What is the InChIKey of N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is AAQVAPSLQVZYAY-SJORKVTESA-N. The full InChI is InChI=1S/C24H33N7O2/c1-5-18(6-2)31-20(7-3)19(13-26-31)23(32)28-16-8-9-17(12-16)29-24(33)21-22-27-15(4)14-30(22)11-10-25-21/h10-11,13-14,16-18H,5-9,12H2,1-4H3,(H,28,32)(H,29,33)/t16-,17+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 167846006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).