3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C44H43Br2Cl2F3N10 — CID 159468118

IUPAC3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.FC(F)(F)c1cccc(CN2CCC(Nc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)CC2)c1
InChIInChI=1S/C25H22BrClF3N5.C19H21BrClN5/c26-20-14-31-35-23(13-22(33-24(20)35)19-6-1-2-7-21(19)27)32-18-8-10-34(11-9-18)15-16-4-3-5-17(12-16)25(28,29)30;1-2-25-9-7-13(8-10-25)23-18-11-17(14-5-3-4-6-16(14)21)24-19-15(20)12-22-26(18)19/h1-7,12-14,18,32H,8-11,15H2;3-6,11-13,23H,2,7-10H2,1H3
InChIKeyLVLHSBJUDYXPEQ-UHFFFAOYSA-N
MW999.61 g/mol
LogP11.62
Rot. Bonds9

About 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159468118) has the molecular formula C44H43Br2Cl2F3N10 and a molecular weight of 999.61 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159468118
Molecular FormulaC44H43Br2Cl2F3N10
Molecular Weight999.61 g/mol
Exact Mass996.14
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.FC(F)(F)c1cccc(CN2CCC(Nc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)CC2)c1
InChIInChI=1S/C25H22BrClF3N5.C19H21BrClN5/c26-20-14-31-35-23(13-22(33-24(20)35)19-6-1-2-7-21(19)27)32-18-8-10-34(11-9-18)15-16-4-3-5-17(12-16)25(28,29)30;1-2-25-9-7-13(8-10-25)23-18-11-17(14-5-3-4-6-16(14)21)24-19-15(20)12-22-26(18)19/h1-7,12-14,18,32H,8-11,15H2;3-6,11-13,23H,2,7-10H2,1H3
InChIKeyLVLHSBJUDYXPEQ-UHFFFAOYSA-N
XLogP11.62
TPSA90.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.61
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9909749
4-(3-(4-chloro-3-fluorobenzyl)-4,5-dihydro-3H-1,2,2a1,5-tetraazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 136996837
4-[(5R)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,7,12-tetrazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145713229
4-[(5S)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,7,12-tetrazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145995626
3-bromo-5-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10364494
3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24219807
1-N-[7-(2-chloro-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-phenylpropane-1,2-diamine
CID 17965386
1-[4-[[[3-Bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 21065537
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 21065998
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 21066002
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 21066005
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(3,5-difluorophenyl)piperidine-1-carboxamide
CID 21066007

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 159468118) is 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.FC(F)(F)c1cccc(CN2CCC(Nc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)CC2)c1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LVLHSBJUDYXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrClF3N5.C19H21BrClN5/c26-20-14-31-35-23(13-22(33-24(20)35)19-6-1-2-7-21(19)27)32-18-8-10-34(11-9-18)15-16-4-3-5-17(12-16)25(28,29)30;1-2-25-9-7-13(8-10-25)23-18-11-17(14-5-3-4-6-16(14)21)24-19-15(20)12-22-26(18)19/h1-7,12-14,18,32H,8-11,15H2;3-6,11-13,23H,2,7-10H2,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 999.61 g/mol, XLogP of 11.62, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159468118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).