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

C46H45ClF2N14 — CID 157324151

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine
SMILESCC(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NCCc3c[nH]c4cccnc34)cc(-c3cncc(F)c3)nc12.NCCc1c[nH]c2cccnc12
InChIInChI=1S/C23H22FN7.C14H12ClFN4.C9H11N3/c1-14(2)18-13-29-31-21(9-20(30-23(18)31)16-8-17(24)12-25-10-16)26-7-5-15-11-28-19-4-3-6-27-22(15)19;1-8(2)11-7-18-20-13(15)4-12(19-14(11)20)9-3-10(16)6-17-5-9;10-4-3-7-6-12-8-2-1-5-11-9(7)8/h3-4,6,8-14,26,28H,5,7H2,1-2H3;3-8H,1-2H3;1-2,5-6,12H,3-4,10H2
InChIKeyBEMYVENIJMAEDY-UHFFFAOYSA-N
MW867.41 g/mol
LogP9.36
Rot. Bonds10

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

7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine (PubChem CID 157324151) has the molecular formula C46H45ClF2N14 and a molecular weight of 867.41 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine
PubChem CID157324151
Molecular FormulaC46H45ClF2N14
Molecular Weight867.41 g/mol
Exact Mass866.36
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine
SMILESCC(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NCCc3c[nH]c4cccnc34)cc(-c3cncc(F)c3)nc12.NCCc1c[nH]c2cccnc12
InChIInChI=1S/C23H22FN7.C14H12ClFN4.C9H11N3/c1-14(2)18-13-29-31-21(9-20(30-23(18)31)16-8-17(24)12-25-10-16)26-7-5-15-11-28-19-4-3-6-27-22(15)19;1-8(2)11-7-18-20-13(15)4-12(19-14(11)20)9-3-10(16)6-17-5-9;10-4-3-7-6-12-8-2-1-5-11-9(7)8/h3-4,6,8-14,26,28H,5,7H2,1-2H3;3-8H,1-2H3;1-2,5-6,12H,3-4,10H2
InChIKeyBEMYVENIJMAEDY-UHFFFAOYSA-N
XLogP9.36
TPSA181.57 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.41
LogP ≤ 59.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

2-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766169
3-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766320
4-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766322
5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136968893
IRE1|A kinase-IN-1
CID 139593294
3-[1-[(4-Chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136491510
US10544143, Example 373
CID 138686987
(S)-1-(2-(4-(3-chloro-6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)-1-(4-fluorophenyl)ethanamine
CID 142446454
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155522759
3-(2-anilino-7-fluoro-3H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155540082
3-(2-anilino-4-fluoro-1H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine (CID 157324151) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine is CC(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NCCc3c[nH]c4cccnc34)cc(-c3cncc(F)c3)nc12.NCCc1c[nH]c2cccnc12.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?
The InChIKey is BEMYVENIJMAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7.C14H12ClFN4.C9H11N3/c1-14(2)18-13-29-31-21(9-20(30-23(18)31)16-8-17(24)12-25-10-16)26-7-5-15-11-28-19-4-3-6-27-22(15)19;1-8(2)11-7-18-20-13(15)4-12(19-14(11)20)9-3-10(16)6-17-5-9;10-4-3-7-6-12-8-2-1-5-11-9(7)8/h3-4,6,8-14,26,28H,5,7H2,1-2H3;3-8H,1-2H3;1-2,5-6,12H,3-4,10H2.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?
7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine has a molecular weight of 867.41 g/mol, XLogP of 9.36, 10 rotatable bonds, 4 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-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine is sourced from PubChem (CID 157324151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).