7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C23H29N9 — CID 137435443

IUPAC7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1CCC(CN(C)c2cccc(Cn3cc(Cc4cc(N)nc5n[nH]nc45)cn3)c2)N1
InChIInChI=1S/C23H29N9/c1-15-6-7-19(26-15)14-31(2)20-5-3-4-16(9-20)12-32-13-17(11-25-32)8-18-10-21(24)27-23-22(18)28-30-29-23/h3-5,9-11,13,15,19,26H,6-8,12,14H2,1-2H3,(H3,24,27,28,29,30)
InChIKeyFKYKKEABAJSSMW-UHFFFAOYSA-N
MW431.55 g/mol
LogP2.35
Rot. Bonds7

About 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 137435443) has the molecular formula C23H29N9 and a molecular weight of 431.55 g/mol. Its IUPAC name is 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID137435443
Molecular FormulaC23H29N9
Molecular Weight431.55 g/mol
Exact Mass431.25
IUPAC Name7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1CCC(CN(C)c2cccc(Cn3cc(Cc4cc(N)nc5n[nH]nc45)cn3)c2)N1
InChIInChI=1S/C23H29N9/c1-15-6-7-19(26-15)14-31(2)20-5-3-4-16(9-20)12-32-13-17(11-25-32)8-18-10-21(24)27-23-22(18)28-30-29-23/h3-5,9-11,13,15,19,26H,6-8,12,14H2,1-2H3,(H3,24,27,28,29,30)
InChIKeyFKYKKEABAJSSMW-UHFFFAOYSA-N
XLogP2.35
TPSA113.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 137435443) is 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC1CCC(CN(C)c2cccc(Cn3cc(Cc4cc(N)nc5n[nH]nc45)cn3)c2)N1.
What is the InChIKey of 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is FKYKKEABAJSSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9/c1-15-6-7-19(26-15)14-31(2)20-5-3-4-16(9-20)12-32-13-17(11-25-32)8-18-10-21(24)27-23-22(18)28-30-29-23/h3-5,9-11,13,15,19,26H,6-8,12,14H2,1-2H3,(H3,24,27,28,29,30).
What are the key properties of 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 431.55 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 137435443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).