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

C19H25N5 — CID 92589629

IUPAC2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1ncc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C
InChIInChI=1S/C19H25N5/c1-3-24-14(2)17(11-21-24)13-23-9-5-7-16(12-23)18-10-15-6-4-8-20-19(15)22-18/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyMGGUYLHHPTYYJR-INIZCTEOSA-N
MW323.44 g/mol
LogP3.47
Rot. Bonds4

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

2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92589629) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92589629
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1ncc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C
InChIInChI=1S/C19H25N5/c1-3-24-14(2)17(11-21-24)13-23-9-5-7-16(12-23)18-10-15-6-4-8-20-19(15)22-18/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyMGGUYLHHPTYYJR-INIZCTEOSA-N
XLogP3.47
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92572827
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92594818
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92611352
[2-methoxy-5-[[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 92597374
N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 132778206
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
N-[6-[(3R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 95813639
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266595
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 92589629) is 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is CCn1ncc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C.
What is the InChIKey of 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MGGUYLHHPTYYJR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-24-14(2)17(11-21-24)13-23-9-5-7-16(12-23)18-10-15-6-4-8-20-19(15)22-18/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 323.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92589629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).