1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol

C16H17N5O — CID 167978285

IUPAC1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3cc4cccnc4[nH]3)cn2)CC1
InChIInChI=1S/C16H17N5O/c22-13-3-6-21(7-4-13)16-18-9-12(10-19-16)14-8-11-2-1-5-17-15(11)20-14/h1-2,5,8-10,13,22H,3-4,6-7H2,(H,17,20)
InChIKeyAMKMCYJKEKXFFK-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.98
Rot. Bonds2

About 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol

1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 167978285) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID167978285
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3cc4cccnc4[nH]3)cn2)CC1
InChIInChI=1S/C16H17N5O/c22-13-3-6-21(7-4-13)16-18-9-12(10-19-16)14-8-11-2-1-5-17-15(11)20-14/h1-2,5,8-10,13,22H,3-4,6-7H2,(H,17,20)
InChIKeyAMKMCYJKEKXFFK-UHFFFAOYSA-N
XLogP1.98
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 150504455
4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol
CID 91664681
1-[5-(1,3-benzothiazol-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167985106
1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
CID 53415334
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 176550416
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 141182244
1-[3-(fluoroamino)-2-pyridinyl]piperidin-4-ol
CID 89185599
2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 96761843
1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
CID 123614324
1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol
CID 167800489

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol (CID 167978285) is 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol is OC1CCN(c2ncc(-c3cc4cccnc4[nH]3)cn2)CC1.
What is the InChIKey of 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is AMKMCYJKEKXFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-13-3-6-21(7-4-13)16-18-9-12(10-19-16)14-8-11-2-1-5-17-15(11)20-14/h1-2,5,8-10,13,22H,3-4,6-7H2,(H,17,20).
What are the key properties of 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol?
1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 295.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 167978285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).