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

C22H23N7 — CID 58345030

IUPAC3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCN1CCN(c2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)CC1
InChIInChI=1S/C22H23N7/c1-27-12-14-28(15-13-27)16-6-8-17(9-7-16)29-21(18-4-2-10-24-20(18)23)26-19-5-3-11-25-22(19)29/h2-11H,12-15H2,1H3,(H2,23,24)
InChIKeyNLDDZTYGBQUHIF-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.82
Rot. Bonds3

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

3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 58345030) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID58345030
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCN1CCN(c2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)CC1
InChIInChI=1S/C22H23N7/c1-27-12-14-28(15-13-27)16-6-8-17(9-7-16)29-21(18-4-2-10-24-20(18)23)26-19-5-3-11-25-22(19)29/h2-11H,12-15H2,1H3,(H2,23,24)
InChIKeyNLDDZTYGBQUHIF-UHFFFAOYSA-N
XLogP2.82
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 58345030) is 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CN1CCN(c2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is NLDDZTYGBQUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-27-12-14-28(15-13-27)16-6-8-17(9-7-16)29-21(18-4-2-10-24-20(18)23)26-19-5-3-11-25-22(19)29/h2-11H,12-15H2,1H3,(H2,23,24).
What are the key properties of 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 385.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 58345030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).