7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

C44H39ClF2N12 — CID 158606271

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCCC3=CCc4cccnc43)cc(-c3cncc(F)c3)nc12.NCCC1=CCc2cccnc21
InChIInChI=1S/C22H19FN6.C12H8ClFN4.C10H12N2/c1-14-11-27-29-20(10-19(28-22(14)29)17-9-18(23)13-24-12-17)25-8-6-16-5-4-15-3-2-7-26-21(15)16;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;11-6-5-9-4-3-8-2-1-7-12-10(8)9/h2-3,5,7,9-13,25H,4,6,8H2,1H3;2-6H,1H3;1-2,4,7H,3,5-6,11H2
InChIKeyHWGPZFQIIOQTRX-UHFFFAOYSA-N
MW809.33 g/mol
LogP8.34
Rot. Bonds8

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158606271) has the molecular formula C44H39ClF2N12 and a molecular weight of 809.33 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158606271
Molecular FormulaC44H39ClF2N12
Molecular Weight809.33 g/mol
Exact Mass808.31
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCCC3=CCc4cccnc43)cc(-c3cncc(F)c3)nc12.NCCC1=CCc2cccnc21
InChIInChI=1S/C22H19FN6.C12H8ClFN4.C10H12N2/c1-14-11-27-29-20(10-19(28-22(14)29)17-9-18(23)13-24-12-17)25-8-6-16-5-4-15-3-2-7-26-21(15)16;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;11-6-5-9-4-3-8-2-1-7-12-10(8)9/h2-3,5,7,9-13,25H,4,6,8H2,1H3;2-6H,1H3;1-2,4,7H,3,5-6,11H2
InChIKeyHWGPZFQIIOQTRX-UHFFFAOYSA-N
XLogP8.34
TPSA149.99 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.33
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159630368
5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 140944634
3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol
CID 140944585
ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol
CID 142460417
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 135376544
ethane;N-[2-(3H-inden-1-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(5-methyl-3-pyridinyl)-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(5-methyl-3-pyridinyl)-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158281730
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 154540820
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 167320617
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647
5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(5-propyl-1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460309
7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 135376806

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158606271) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCCC3=CCc4cccnc43)cc(-c3cncc(F)c3)nc12.NCCC1=CCc2cccnc21.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HWGPZFQIIOQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6.C12H8ClFN4.C10H12N2/c1-14-11-27-29-20(10-19(28-22(14)29)17-9-18(23)13-24-12-17)25-8-6-16-5-4-15-3-2-7-26-21(15)16;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;11-6-5-9-4-3-8-2-1-7-12-10(8)9/h2-3,5,7,9-13,25H,4,6,8H2,1H3;2-6H,1H3;1-2,4,7H,3,5-6,11H2.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 809.33 g/mol, XLogP of 8.34, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158606271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).