N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine

C21H24N6O2 — CID 178045551

IUPACN-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine
SMILESCC(Cn1ncc2cc(C#N)ccc21)NC(=O)C1CCCO1.Cc1ncccn1
InChIInChI=1S/C16H18N4O2.C5H6N2/c1-11(19-16(21)15-3-2-6-22-15)10-20-14-5-4-12(8-17)7-13(14)9-18-20;1-5-6-3-2-4-7-5/h4-5,7,9,11,15H,2-3,6,10H2,1H3,(H,19,21);2-4H,1H3
InChIKeyBCFBKDWNRJTLCP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine

N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine (PubChem CID 178045551) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine.

Molecular Properties

Compound NameN-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine
PubChem CID178045551
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine
SMILESCC(Cn1ncc2cc(C#N)ccc21)NC(=O)C1CCCO1.Cc1ncccn1
InChIInChI=1S/C16H18N4O2.C5H6N2/c1-11(19-16(21)15-3-2-6-22-15)10-20-14-5-4-12(8-17)7-13(14)9-18-20;1-5-6-3-2-4-7-5/h4-5,7,9,11,15H,2-3,6,10H2,1H3,(H,19,21);2-4H,1H3
InChIKeyBCFBKDWNRJTLCP-UHFFFAOYSA-N
XLogP2.38
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethyl-6-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)tetrahydro-2-furancarboxamide
CID 4655315
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 4921367
[2-(1H-indol-3-yl)-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 168289123
N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide
CID 3296264
US10287286, Example 159
CID 122540764
US10071079, Example 645
CID 132272492
N-[(3E)-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
CID 665069
1-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 2938991
US10023570, Example 60
CID 124199635
US10023570, Example 58
CID 124199674
US10023570, Example 178
CID 124200190
US10023570, Example 182
CID 126752972

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine?
The IUPAC name of N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine (CID 178045551) is N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine.
What is the SMILES notation for N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine?
The canonical SMILES for N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine is CC(Cn1ncc2cc(C#N)ccc21)NC(=O)C1CCCO1.Cc1ncccn1.
What is the InChIKey of N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine?
The InChIKey is BCFBKDWNRJTLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.C5H6N2/c1-11(19-16(21)15-3-2-6-22-15)10-20-14-5-4-12(8-17)7-13(14)9-18-20;1-5-6-3-2-4-7-5/h4-5,7,9,11,15H,2-3,6,10H2,1H3,(H,19,21);2-4H,1H3.
What are the key properties of N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine?
N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine has a molecular weight of 392.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyanoindazol-1-yl)propan-2-yl]oxolane-2-carboxamide;2-methylpyrimidine is sourced from PubChem (CID 178045551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).