5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C22H22N10 — CID 137042465

IUPAC5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)[nH]c23)CC1
InChIInChI=1S/C22H22N10/c1-31-6-8-32(9-7-31)17-4-5-25-21-19(17)27-22(28-21)20-18-16(29-30-20)3-2-15(26-18)13-10-14(23)12-24-11-13/h2-5,10-12H,6-9,23H2,1H3,(H,29,30)(H,25,27,28)
InChIKeyIXSGBAKLPUIEES-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.29
Rot. Bonds3

About 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137042465) has the molecular formula C22H22N10 and a molecular weight of 426.49 g/mol. Its IUPAC name is 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID137042465
Molecular FormulaC22H22N10
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)[nH]c23)CC1
InChIInChI=1S/C22H22N10/c1-31-6-8-32(9-7-31)17-4-5-25-21-19(17)27-22(28-21)20-18-16(29-30-20)3-2-15(26-18)13-10-14(23)12-24-11-13/h2-5,10-12H,6-9,23H2,1H3,(H,29,30)(H,25,27,28)
InChIKeyIXSGBAKLPUIEES-UHFFFAOYSA-N
XLogP2.29
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137042465) is 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is CN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)nc45)[nH]c23)CC1.
What is the InChIKey of 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is IXSGBAKLPUIEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10/c1-31-6-8-32(9-7-31)17-4-5-25-21-19(17)27-22(28-21)20-18-16(29-30-20)3-2-15(26-18)13-10-14(23)12-24-11-13/h2-5,10-12H,6-9,23H2,1H3,(H,29,30)(H,25,27,28).
What are the key properties of 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 426.49 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137042465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).