1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide

C17H27N5O2 — CID 56713940

IUPAC1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(C)CN1CCOC(CCNC(=O)c2cnn3ccn(C)c23)C1
InChIInChI=1S/C17H27N5O2/c1-13(2)11-21-8-9-24-14(12-21)4-5-18-16(23)15-10-19-22-7-6-20(3)17(15)22/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3,(H,18,23)
InChIKeyBCSOKBYSXAVCCW-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.15
Rot. Bonds6

About 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 56713940) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID56713940
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(C)CN1CCOC(CCNC(=O)c2cnn3ccn(C)c23)C1
InChIInChI=1S/C17H27N5O2/c1-13(2)11-21-8-9-24-14(12-21)4-5-18-16(23)15-10-19-22-7-6-20(3)17(15)22/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3,(H,18,23)
InChIKeyBCSOKBYSXAVCCW-UHFFFAOYSA-N
XLogP1.15
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 56713940) is 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide is CC(C)CN1CCOC(CCNC(=O)c2cnn3ccn(C)c23)C1.
What is the InChIKey of 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is BCSOKBYSXAVCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)11-21-8-9-24-14(12-21)4-5-18-16(23)15-10-19-22-7-6-20(3)17(15)22/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3,(H,18,23).
What are the key properties of 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 56713940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).