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

C17H17N5O — CID 110258753

IUPACpyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCCC(c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C17H17N5O/c23-17(14-8-18-11-19-9-14)22-6-2-4-13(10-22)15-7-12-3-1-5-20-16(12)21-15/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,20,21)
InChIKeyDWDYEDPXOGJDBA-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.37
Rot. Bonds2

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

pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 110258753) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID110258753
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Namepyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCCC(c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C17H17N5O/c23-17(14-8-18-11-19-9-14)22-6-2-4-13(10-22)15-7-12-3-1-5-20-16(12)21-15/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,20,21)
InChIKeyDWDYEDPXOGJDBA-UHFFFAOYSA-N
XLogP2.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
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
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532
2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 110234494
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(5R)-3-methyl-5-[2-oxo-2-[(3S)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92607674
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 110258753) is pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1cncnc1)N1CCCC(c2cc3cccnc3[nH]2)C1.
What is the InChIKey of pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is DWDYEDPXOGJDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(14-8-18-11-19-9-14)22-6-2-4-13(10-22)15-7-12-3-1-5-20-16(12)21-15/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,20,21).
What are the key properties of pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110258753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).