6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine

C15H18N6 — CID 124952532

IUPAC6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESc1ncc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)[nH]1
InChIInChI=1S/C15H18N6/c1-2-12(8-21(5-1)9-13-7-16-10-17-13)14-4-3-11-6-18-20-15(11)19-14/h3-4,6-7,10,12H,1-2,5,8-9H2,(H,16,17)(H,18,19,20)/t12-/m0/s1
InChIKeyDPAAJBHTMBUVFJ-LBPRGKRZSA-N
MW282.35 g/mol
LogP2.06
Rot. Bonds3

About 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine

6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine (PubChem CID 124952532) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
PubChem CID124952532
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESc1ncc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)[nH]1
InChIInChI=1S/C15H18N6/c1-2-12(8-21(5-1)9-13-7-16-10-17-13)14-4-3-11-6-18-20-15(11)19-14/h3-4,6-7,10,12H,1-2,5,8-9H2,(H,16,17)(H,18,19,20)/t12-/m0/s1
InChIKeyDPAAJBHTMBUVFJ-LBPRGKRZSA-N
XLogP2.06
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine 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
6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118592
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124986558
6-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118608
4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124947493
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
(3S)-1-(1H-imidazol-5-ylmethyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 125003717
6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110090926
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine (CID 124952532) is 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine is c1ncc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)[nH]1.
What is the InChIKey of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is DPAAJBHTMBUVFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-12(8-21(5-1)9-13-7-16-10-17-13)14-4-3-11-6-18-20-15(11)19-14/h3-4,6-7,10,12H,1-2,5,8-9H2,(H,16,17)(H,18,19,20)/t12-/m0/s1.
What are the key properties of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine?
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 282.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 124952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).