N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid

C30H35F3N8O2 — CID 71074230

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCNCC4)c3)cn3ncnc23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H34N8.C2HF3O2/c1-20-5-4-14-35(20)27-9-3-8-26(34-27)33-25-16-23(18-36-28(25)31-19-32-36)22-7-2-6-21(15-22)17-30-24-10-12-29-13-11-24;3-2(4,5)1(6)7/h2-3,6-9,15-16,18-20,24,29-30H,4-5,10-14,17H2,1H3,(H,33,34);(H,6,7)
InChIKeyADRBKXDHRKMAIP-UHFFFAOYSA-N
MW596.66 g/mol
LogP5.00
Rot. Bonds7

About N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid (PubChem CID 71074230) has the molecular formula C30H35F3N8O2 and a molecular weight of 596.66 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid
PubChem CID71074230
Molecular FormulaC30H35F3N8O2
Molecular Weight596.66 g/mol
Exact Mass596.28
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCNCC4)c3)cn3ncnc23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H34N8.C2HF3O2/c1-20-5-4-14-35(20)27-9-3-8-26(34-27)33-25-16-23(18-36-28(25)31-19-32-36)22-7-2-6-21(15-22)17-30-24-10-12-29-13-11-24;3-2(4,5)1(6)7/h2-3,6-9,15-16,18-20,24,29-30H,4-5,10-14,17H2,1H3,(H,33,34);(H,6,7)
InChIKeyADRBKXDHRKMAIP-UHFFFAOYSA-N
XLogP5.00
TPSA119.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.66
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid (CID 71074230) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid is CC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCNCC4)c3)cn3ncnc23)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ADRBKXDHRKMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8.C2HF3O2/c1-20-5-4-14-35(20)27-9-3-8-26(34-27)33-25-16-23(18-36-28(25)31-19-32-36)22-7-2-6-21(15-22)17-30-24-10-12-29-13-11-24;3-2(4,5)1(6)7/h2-3,6-9,15-16,18-20,24,29-30H,4-5,10-14,17H2,1H3,(H,33,34);(H,6,7).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid has a molecular weight of 596.66 g/mol, XLogP of 5.00, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-[(piperidin-4-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71074230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).