2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide

C15H21N7 — CID 163742876

IUPAC2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide
SMILES[H]/N=C(CN=C)/N=C/c1cnn2c1NCC=C2C1CCNCC1
InChIInChI=1S/C15H21N7/c1-17-10-14(16)20-8-12-9-21-22-13(4-7-19-15(12)22)11-2-5-18-6-3-11/h4,8-9,11,16,18-19H,1-3,5-7,10H2/b16-14+,20-8+
InChIKeyLJHSHSUAHNLAEP-PLZKANMKSA-N
MW299.38 g/mol
LogP1.25
Rot. Bonds4

About 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide

2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide (PubChem CID 163742876) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide.

Molecular Properties

Compound Name2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide
PubChem CID163742876
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide
SMILES[H]/N=C(CN=C)/N=C/c1cnn2c1NCC=C2C1CCNCC1
InChIInChI=1S/C15H21N7/c1-17-10-14(16)20-8-12-9-21-22-13(4-7-19-15(12)22)11-2-5-18-6-3-11/h4,8-9,11,16,18-19H,1-3,5-7,10H2/b16-14+,20-8+
InChIKeyLJHSHSUAHNLAEP-PLZKANMKSA-N
XLogP1.25
TPSA90.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

US10118930, Example 342
CID 137018378
US10118930, Example 265
CID 137018641
5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
CID 136607764
7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136992645
3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025657
3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025966
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
CID 137200370
6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 141082770
6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 141082772
3-Methyl-7-methylidene-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-4-ide
CID 143441110
7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 144917454
7-Methyl-5-propan-2-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine
CID 148194691

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide?
The IUPAC name of 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide (CID 163742876) is 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide.
What is the SMILES notation for 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide?
The canonical SMILES for 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide is [H]/N=C(CN=C)/N=C/c1cnn2c1NCC=C2C1CCNCC1.
What is the InChIKey of 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide?
The InChIKey is LJHSHSUAHNLAEP-PLZKANMKSA-N. The full InChI is InChI=1S/C15H21N7/c1-17-10-14(16)20-8-12-9-21-22-13(4-7-19-15(12)22)11-2-5-18-6-3-11/h4,8-9,11,16,18-19H,1-3,5-7,10H2/b16-14+,20-8+.
What are the key properties of 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide?
2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide has a molecular weight of 299.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-N-[(7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)methylidene]ethanimidamide is sourced from PubChem (CID 163742876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).