2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine

C35H50F3N11 — CID 157072755

IUPAC2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
SMILESCC(C)N1CCN(CCN)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cccc(C(F)(F)F)n4)nc3c2)CC1
InChIInChI=1S/C26H29F3N8.C9H21N3/c1-17(2)37-12-10-36(11-13-37)9-8-30-18-14-23-21(31-15-18)7-6-20(33-23)19-16-32-35-25(19)22-4-3-5-24(34-22)26(27,28)29;1-9(2)12-7-5-11(4-3-10)6-8-12/h3-7,14-17,30H,8-13H2,1-2H3,(H,32,35);9H,3-8,10H2,1-2H3
InChIKeyACPVGOHLZWUXCS-UHFFFAOYSA-N
MW681.86 g/mol
LogP4.51
Rot. Bonds10

About 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine

2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine (PubChem CID 157072755) has the molecular formula C35H50F3N11 and a molecular weight of 681.86 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
PubChem CID157072755
Molecular FormulaC35H50F3N11
Molecular Weight681.86 g/mol
Exact Mass681.42
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
SMILESCC(C)N1CCN(CCN)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cccc(C(F)(F)F)n4)nc3c2)CC1
InChIInChI=1S/C26H29F3N8.C9H21N3/c1-17(2)37-12-10-36(11-13-37)9-8-30-18-14-23-21(31-15-18)7-6-20(33-23)19-16-32-35-25(19)22-4-3-5-24(34-22)26(27,28)29;1-9(2)12-7-5-11(4-3-10)6-8-12/h3-7,14-17,30H,8-13H2,1-2H3,(H,32,35);9H,3-8,10H2,1-2H3
InChIKeyACPVGOHLZWUXCS-UHFFFAOYSA-N
XLogP4.51
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.86
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine with MolForge

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Related Compounds

RepSox
CID 449054
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
2-(3-Pyridin-2-yl-1H-pyrazol-4-yl)-1,5-naphthyridine
CID 9925495
N-(2-(2,5-difluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670693
N-[2-(2-fluoro-5-methylphenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 67470496
(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
CID 71253520
3-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253646
US11458138, Example 269
CID 135390651
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
2-phenyl-3-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]quinoxaline
CID 44450004
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine
CID 44532720

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine (CID 157072755) is 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine is CC(C)N1CCN(CCN)CC1.CC(C)N1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cccc(C(F)(F)F)n4)nc3c2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
The InChIKey is ACPVGOHLZWUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N8.C9H21N3/c1-17(2)37-12-10-36(11-13-37)9-8-30-18-14-23-21(31-15-18)7-6-20(33-23)19-16-32-35-25(19)22-4-3-5-24(34-22)26(27,28)29;1-9(2)12-7-5-11(4-3-10)6-8-12/h3-7,14-17,30H,8-13H2,1-2H3,(H,32,35);9H,3-8,10H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine has a molecular weight of 681.86 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 157072755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).