4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol

C16H19N5O — CID 56918925

IUPAC4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C16H19N5O/c22-16(11-20-10-7-17-12-20)4-8-21(9-5-16)14-2-1-13-3-6-18-15(13)19-14/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,18,19)
InChIKeyUZGPTWOOBRGBTN-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.79
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol (PubChem CID 56918925) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol
PubChem CID56918925
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C16H19N5O/c22-16(11-20-10-7-17-12-20)4-8-21(9-5-16)14-2-1-13-3-6-18-15(13)19-14/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,18,19)
InChIKeyUZGPTWOOBRGBTN-UHFFFAOYSA-N
XLogP1.79
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 56888344
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 50977781
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1H-pyrrolo[2,3-b]pyridine
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1-(imidazol-1-ylmethyl)-4-methylcyclohexan-1-ol
CID 59088177
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 74251154
N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56892786
6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine
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4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
CID 171913881
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
CID 171388657
1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 74233807
(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95715580

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol (CID 56918925) is 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol is OC1(Cn2ccnc2)CCN(c2ccc3cc[nH]c3n2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol?
The InChIKey is UZGPTWOOBRGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(11-20-10-7-17-12-20)4-8-21(9-5-16)14-2-1-13-3-6-18-15(13)19-14/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,18,19).
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol has a molecular weight of 297.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-4-ol is sourced from PubChem (CID 56918925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).