N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine

C18H22N6 — CID 125003912

IUPACN-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H22N6/c1-19-17-15(4-2-8-20-17)12-24-9-3-5-14(11-24)16-7-6-13-10-21-23-18(13)22-16/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,19,20)(H,21,22,23)/t14-/m1/s1
InChIKeySUSUTVWRZOUSQS-CQSZACIVSA-N
MW322.42 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine

N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 125003912) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID125003912
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H22N6/c1-19-17-15(4-2-8-20-17)12-24-9-3-5-14(11-24)16-7-6-13-10-21-23-18(13)22-16/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,19,20)(H,21,22,23)/t14-/m1/s1
InChIKeySUSUTVWRZOUSQS-CQSZACIVSA-N
XLogP2.77
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
6-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118608
6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118592
4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124947493
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124986558
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806723
4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136766199
[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 110268922
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine (CID 125003912) is N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine is CNc1ncccc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is SUSUTVWRZOUSQS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6/c1-19-17-15(4-2-8-20-17)12-24-9-3-5-14(11-24)16-7-6-13-10-21-23-18(13)22-16/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,19,20)(H,21,22,23)/t14-/m1/s1.
What are the key properties of N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine?
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 322.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 125003912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).