N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20N6O — CID 140822116

IUPACN-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[C-]#[N+]c1cncc(-c2cc(C)n3ncc(C(=O)NC(C)(C)C4CC4)c3n2)c1
InChIInChI=1S/C20H20N6O/c1-12-7-17(13-8-15(21-4)10-22-9-13)24-18-16(11-23-26(12)18)19(27)25-20(2,3)14-5-6-14/h7-11,14H,5-6H2,1-3H3,(H,25,27)
InChIKeyDQHUYCWETIWIDO-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.57
Rot. Bonds4

About N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140822116) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140822116
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[C-]#[N+]c1cncc(-c2cc(C)n3ncc(C(=O)NC(C)(C)C4CC4)c3n2)c1
InChIInChI=1S/C20H20N6O/c1-12-7-17(13-8-15(21-4)10-22-9-13)24-18-16(11-23-26(12)18)19(27)25-20(2,3)14-5-6-14/h7-11,14H,5-6H2,1-3H3,(H,25,27)
InChIKeyDQHUYCWETIWIDO-UHFFFAOYSA-N
XLogP3.57
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140822116) is N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is [C-]#[N+]c1cncc(-c2cc(C)n3ncc(C(=O)NC(C)(C)C4CC4)c3n2)c1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DQHUYCWETIWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-7-17(13-8-15(21-4)10-22-9-13)24-18-16(11-23-26(12)18)19(27)25-20(2,3)14-5-6-14/h7-11,14H,5-6H2,1-3H3,(H,25,27).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-5-(5-isocyano-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140822116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).