N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine

C26H33N7 — CID 69318446

IUPACN-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine
SMILESCC(C)C(N)CN1CCC(Nc2nc3ccncc3n2Cc2cccc3cccnc23)CC1
InChIInChI=1S/C26H33N7/c1-18(2)22(27)17-32-13-9-21(10-14-32)30-26-31-23-8-12-28-15-24(23)33(26)16-20-6-3-5-19-7-4-11-29-25(19)20/h3-8,11-12,15,18,21-22H,9-10,13-14,16-17,27H2,1-2H3,(H,30,31)
InChIKeyJSTZXRWBHBCVJF-UHFFFAOYSA-N
MW443.60 g/mol
LogP3.89
Rot. Bonds7

About N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine

N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 69318446) has the molecular formula C26H33N7 and a molecular weight of 443.60 g/mol. Its IUPAC name is N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine
PubChem CID69318446
Molecular FormulaC26H33N7
Molecular Weight443.60 g/mol
Exact Mass443.28
IUPAC NameN-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine
SMILESCC(C)C(N)CN1CCC(Nc2nc3ccncc3n2Cc2cccc3cccnc23)CC1
InChIInChI=1S/C26H33N7/c1-18(2)22(27)17-32-13-9-21(10-14-32)30-26-31-23-8-12-28-15-24(23)33(26)16-20-6-3-5-19-7-4-11-29-25(19)20/h3-8,11-12,15,18,21-22H,9-10,13-14,16-17,27H2,1-2H3,(H,30,31)
InChIKeyJSTZXRWBHBCVJF-UHFFFAOYSA-N
XLogP3.89
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine with MolForge

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Related Compounds

N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 22343458
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[(3-ethoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine;hydrate
CID 139939824
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[1-(6-bromo-2-pyridinyl)ethoxymethyl]benzimidazol-2-amine
CID 87587489
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
CID 103936581
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
CID 51117990
[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
CID 22343520
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 61208707

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine (CID 69318446) is N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine is CC(C)C(N)CN1CCC(Nc2nc3ccncc3n2Cc2cccc3cccnc23)CC1.
What is the InChIKey of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is JSTZXRWBHBCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7/c1-18(2)22(27)17-32-13-9-21(10-14-32)30-26-31-23-8-12-28-15-24(23)33(26)16-20-6-3-5-19-7-4-11-29-25(19)20/h3-8,11-12,15,18,21-22H,9-10,13-14,16-17,27H2,1-2H3,(H,30,31).
What are the key properties of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 443.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 69318446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).