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

C22H23N7 — CID 171069116

IUPAC3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C22H23N7/c23-20-18(3-1-9-25-20)21-27-19-4-2-10-26-22(19)29(21)17-7-5-16(6-8-17)15-28-13-11-24-12-14-28/h1-10,24H,11-15H2,(H2,23,25)
InChIKeyUPDBDQSSXAKWBX-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.47
Rot. Bonds4

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

3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171069116) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171069116
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C22H23N7/c23-20-18(3-1-9-25-20)21-27-19-4-2-10-26-22(19)29(21)17-7-5-16(6-8-17)15-28-13-11-24-12-14-28/h1-10,24H,11-15H2,(H2,23,25)
InChIKeyUPDBDQSSXAKWBX-UHFFFAOYSA-N
XLogP2.47
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(3-methylcyclobuta-1,3-dien-1-yl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495198
3-[5-cyclohexa-1,5-dien-1-yl-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068847
2-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]benzonitrile;ethane
CID 171103434
5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one
CID 171103460
5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1H-pyridin-2-one;ethane
CID 171495365
N-[3-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;ethane
CID 171494002
4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 171494877
N-[3-[[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-ethylamino]propyl]formamide
CID 171496179
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171563228
5-[[1-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171493935

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171069116) is 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is UPDBDQSSXAKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c23-20-18(3-1-9-25-20)21-27-19-4-2-10-26-22(19)29(21)17-7-5-16(6-8-17)15-28-13-11-24-12-14-28/h1-10,24H,11-15H2,(H2,23,25).
What are the key properties of 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 385.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171069116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).