N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine

C25H28N6O2 — CID 71452170

IUPACN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine
SMILESCOc1ccc(-n2ncc3ccc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)cc1
InChIInChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)
InChIKeyLZQFMCFJCXQTTG-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.93
Rot. Bonds6

About N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine

N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 71452170) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine
PubChem CID71452170
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine
SMILESCOc1ccc(-n2ncc3ccc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)cc1
InChIInChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)
InChIKeyLZQFMCFJCXQTTG-UHFFFAOYSA-N
XLogP3.93
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine (CID 71452170) is N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine is COc1ccc(-n2ncc3ccc(Nc4ccc(N5CCN(C)CC5)c(OC)c4)nc32)cc1.
What is the InChIKey of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is LZQFMCFJCXQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28).
What are the key properties of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine?
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 444.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 71452170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).