N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

C26H28ClFN6 — CID 90910138

IUPACN-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1cc(N2CCC(N(C)C)CC2)c(-c2cccc(Cl)c2)cc1F)c1ccnc2ccnn12
InChIInChI=1S/C26H28ClFN6/c1-31(2)20-9-13-33(14-10-20)23-17-24(22(28)16-21(23)18-5-4-6-19(27)15-18)32(3)26-8-11-29-25-7-12-30-34(25)26/h4-8,11-12,15-17,20H,9-10,13-14H2,1-3H3
InChIKeyRBXYJZCWYWRXAG-UHFFFAOYSA-N
MW479.00 g/mol
LogP5.49
Rot. Bonds5

About N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 90910138) has the molecular formula C26H28ClFN6 and a molecular weight of 479.00 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID90910138
Molecular FormulaC26H28ClFN6
Molecular Weight479.00 g/mol
Exact Mass478.20
IUPAC NameN-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1cc(N2CCC(N(C)C)CC2)c(-c2cccc(Cl)c2)cc1F)c1ccnc2ccnn12
InChIInChI=1S/C26H28ClFN6/c1-31(2)20-9-13-33(14-10-20)23-17-24(22(28)16-21(23)18-5-4-6-19(27)15-18)32(3)26-8-11-29-25-7-12-30-34(25)26/h4-8,11-12,15-17,20H,9-10,13-14H2,1-3H3
InChIKeyRBXYJZCWYWRXAG-UHFFFAOYSA-N
XLogP5.49
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
4-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
CID 3011469
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4138917
VU0080241
CID 3260619
[3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-cyclopropylmethyl-propyl-amine
CID 44392711

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 90910138) is N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is CN(c1cc(N2CCC(N(C)C)CC2)c(-c2cccc(Cl)c2)cc1F)c1ccnc2ccnn12.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RBXYJZCWYWRXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN6/c1-31(2)20-9-13-33(14-10-20)23-17-24(22(28)16-21(23)18-5-4-6-19(27)15-18)32(3)26-8-11-29-25-7-12-30-34(25)26/h4-8,11-12,15-17,20H,9-10,13-14H2,1-3H3.
What are the key properties of N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 479.00 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-[4-(dimethylamino)piperidin-1-yl]-2-fluorophenyl]-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 90910138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).