5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C18H23N5 — CID 124964578

IUPAC5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1
InChIInChI=1S/C18H23N5/c1-22-11-16(10-21-22)13-23-6-2-3-14(12-23)7-15-8-17-4-5-19-18(17)20-9-15/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyHYHWUCBIXUGGHP-CQSZACIVSA-N
MW309.42 g/mol
LogP2.75
Rot. Bonds4

About 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 124964578) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID124964578
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1
InChIInChI=1S/C18H23N5/c1-22-11-16(10-21-22)13-23-6-2-3-14(12-23)7-15-8-17-4-5-19-18(17)20-9-15/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyHYHWUCBIXUGGHP-CQSZACIVSA-N
XLogP2.75
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

(4-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 127245013
5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95827791
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652168
5-[[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyridine
CID 75496992
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25381174
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 25304086
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25289632
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 124964578) is 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cn1cc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1.
What is the InChIKey of 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HYHWUCBIXUGGHP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5/c1-22-11-16(10-21-22)13-23-6-2-3-14(12-23)7-15-8-17-4-5-19-18(17)20-9-15/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 309.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 124964578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).