N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C17H11ClFN5 — CID 69416320

IUPACN-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFc1ccc(Nc2ncnc3cn[nH]c23)cc1-c1cccc(Cl)c1
InChIInChI=1S/C17H11ClFN5/c18-11-3-1-2-10(6-11)13-7-12(4-5-14(13)19)23-17-16-15(8-22-24-16)20-9-21-17/h1-9H,(H,22,24)(H,20,21,23)
InChIKeyTYQGAACJPGIUAR-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.56
Rot. Bonds3

About N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69416320) has the molecular formula C17H11ClFN5 and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID69416320
Molecular FormulaC17H11ClFN5
Molecular Weight339.76 g/mol
Exact Mass339.07
IUPAC NameN-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFc1ccc(Nc2ncnc3cn[nH]c23)cc1-c1cccc(Cl)c1
InChIInChI=1S/C17H11ClFN5/c18-11-3-1-2-10(6-11)13-7-12(4-5-14(13)19)23-17-16-15(8-22-24-16)20-9-21-17/h1-9H,(H,22,24)(H,20,21,23)
InChIKeyTYQGAACJPGIUAR-UHFFFAOYSA-N
XLogP4.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844
3-(4-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
Pyrazolo[1,5-b]pyridazine deriv. 31
CID 6539373
Pyrazolo[1,5-b]pyridazine deriv. 61
CID 6539403
Pyrazolo[1,5-b]pyridazine deriv. 66
CID 6539408
Pyrazolo[1,5-b]pyridazine deriv. 81
CID 6539423
4-(2-(4-Chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
CID 6539424
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
Pyrazolo[1,5-b]pyridazine deriv. 102
CID 6539444

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 69416320) is N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Fc1ccc(Nc2ncnc3cn[nH]c23)cc1-c1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is TYQGAACJPGIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5/c18-11-3-1-2-10(6-11)13-7-12(4-5-14(13)19)23-17-16-15(8-22-24-16)20-9-21-17/h1-9H,(H,22,24)(H,20,21,23).
What are the key properties of N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 339.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69416320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).