3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride

C23H26ClN7 — CID 67305562

IUPAC3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
SMILESCl.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCCCC4)nc32)cc1
InChIInChI=1S/C23H25N7.ClH/c24-15-16-6-8-17(9-7-16)30-22(18-5-4-12-26-21(18)25)27-19-10-11-20(28-23(19)30)29-13-2-1-3-14-29;/h4-12H,1-3,13-15,24H2,(H2,25,26);1H
InChIKeyCKVPSOHBGGDUKQ-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.94
Rot. Bonds4

About 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride

3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride (PubChem CID 67305562) has the molecular formula C23H26ClN7 and a molecular weight of 435.96 g/mol. Its IUPAC name is 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
PubChem CID67305562
Molecular FormulaC23H26ClN7
Molecular Weight435.96 g/mol
Exact Mass435.19
IUPAC Name3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
SMILESCl.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCCCC4)nc32)cc1
InChIInChI=1S/C23H25N7.ClH/c24-15-16-6-8-17(9-7-16)30-22(18-5-4-12-26-21(18)25)27-19-10-11-20(28-23(19)30)29-13-2-1-3-14-29;/h4-12H,1-3,13-15,24H2,(H2,25,26);1H
InChIKeyCKVPSOHBGGDUKQ-UHFFFAOYSA-N
XLogP3.94
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride with MolForge

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-(azetidin-1-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl methanesulfonate
CID 171494860
4-[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methyl-1,4-diazepan-2-one;methanamine
CID 171493979
3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
CID 67304551
3-[2-(2-amino-3-pyridinyl)-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one;ethane
CID 171496245
3-[3-(1-amino-2,3-dihydro-1H-inden-5-yl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176981699
cyanamide;3-[5-phenyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171625744
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
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
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116
3-[3-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171563228

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride (CID 67305562) is 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride is Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCCCC4)nc32)cc1.
What is the InChIKey of 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
The InChIKey is CKVPSOHBGGDUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7.ClH/c24-15-16-6-8-17(9-7-16)30-22(18-5-4-12-26-21(18)25)27-19-10-11-20(28-23(19)30)29-13-2-1-3-14-29;/h4-12H,1-3,13-15,24H2,(H2,25,26);1H.
What are the key properties of 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride?
3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(aminomethyl)phenyl]-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 67305562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).