N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide

C14H17F3N6 — CID 145230252

IUPACN-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide
SMILESNN/C=N/C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1
InChIInChI=1S/C14H17F3N6/c15-14(16,17)10-5-12-7-19-9-23(12)13(6-10)22-3-1-11(2-4-22)20-8-21-18/h5-9,11H,1-4,18H2,(H,20,21)
InChIKeyMURMLZFVUKKOOK-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.81
Rot. Bonds3

About N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide

N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide (PubChem CID 145230252) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide.

Molecular Properties

Compound NameN-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide
PubChem CID145230252
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC NameN-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide
SMILESNN/C=N/C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1
InChIInChI=1S/C14H17F3N6/c15-14(16,17)10-5-12-7-19-9-23(12)13(6-10)22-3-1-11(2-4-22)20-8-21-18/h5-9,11H,1-4,18H2,(H,20,21)
InChIKeyMURMLZFVUKKOOK-UHFFFAOYSA-N
XLogP1.81
TPSA70.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide with MolForge

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Related Compounds

[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium
CID 154702356
(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 151963020
N-[4-[2,2-dimethyl-4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 135241041
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 142478102
[6-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 103504770
1-[3-bromo-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 65492020
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68804646
[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720443
4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine
CID 46912441
ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 143712310

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide?
The IUPAC name of N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide (CID 145230252) is N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide.
What is the SMILES notation for N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide?
The canonical SMILES for N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide is NN/C=N/C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1.
What is the InChIKey of N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide?
The InChIKey is MURMLZFVUKKOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c15-14(16,17)10-5-12-7-19-9-23(12)13(6-10)22-3-1-11(2-4-22)20-8-21-18/h5-9,11H,1-4,18H2,(H,20,21).
What are the key properties of N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide?
N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide has a molecular weight of 326.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide is sourced from PubChem (CID 145230252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).