2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C20H25N7O — CID 155556483

IUPAC2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC1)N1CCC(n2cc(-c3ncnc4[nH]ccc34)cn2)CC1
InChIInChI=1S/C20H25N7O/c28-18(13-25-7-1-2-8-25)26-9-4-16(5-10-26)27-12-15(11-24-27)19-17-3-6-21-20(17)23-14-22-19/h3,6,11-12,14,16H,1-2,4-5,7-10,13H2,(H,21,22,23)
InChIKeyUXJWYOCNOXYGNE-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.08
Rot. Bonds4

About 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 155556483) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID155556483
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC1)N1CCC(n2cc(-c3ncnc4[nH]ccc34)cn2)CC1
InChIInChI=1S/C20H25N7O/c28-18(13-25-7-1-2-8-25)26-9-4-16(5-10-26)27-12-15(11-24-27)19-17-3-6-21-20(17)23-14-22-19/h3,6,11-12,14,16H,1-2,4-5,7-10,13H2,(H,21,22,23)
InChIKeyUXJWYOCNOXYGNE-UHFFFAOYSA-N
XLogP2.08
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 155556483) is 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is O=C(CN1CCCC1)N1CCC(n2cc(-c3ncnc4[nH]ccc34)cn2)CC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UXJWYOCNOXYGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c28-18(13-25-7-1-2-8-25)26-9-4-16(5-10-26)27-12-15(11-24-27)19-17-3-6-21-20(17)23-14-22-19/h3,6,11-12,14,16H,1-2,4-5,7-10,13H2,(H,21,22,23).
What are the key properties of 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 379.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155556483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).