N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide

C15H20N6O — CID 42099678

IUPACN-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ncc2c(N3CCCC3)ncnc21)C1CC1
InChIInChI=1S/C15H20N6O/c22-15(11-3-4-11)16-5-8-21-14-12(9-19-21)13(17-10-18-14)20-6-1-2-7-20/h9-11H,1-8H2,(H,16,22)
InChIKeyNHFUGOACZTUWFD-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 42099678) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID42099678
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ncc2c(N3CCCC3)ncnc21)C1CC1
InChIInChI=1S/C15H20N6O/c22-15(11-3-4-11)16-5-8-21-14-12(9-19-21)13(17-10-18-14)20-6-1-2-7-20/h9-11H,1-8H2,(H,16,22)
InChIKeyNHFUGOACZTUWFD-UHFFFAOYSA-N
XLogP0.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide (CID 42099678) is N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCn1ncc2c(N3CCCC3)ncnc21)C1CC1.
What is the InChIKey of N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is NHFUGOACZTUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-15(11-3-4-11)16-5-8-21-14-12(9-19-21)13(17-10-18-14)20-6-1-2-7-20/h9-11H,1-8H2,(H,16,22).
What are the key properties of N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 42099678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).