2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane

C19H28N8O — CID 145336753

IUPAC2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane
SMILESCCC1CC1.CNC(=O)C(C)n1cc(Nc2nc(N)c3cc[nH]c3n2)c(C)n1
InChIInChI=1S/C14H18N8O.C5H10/c1-7-10(6-22(21-7)8(2)13(23)16-3)18-14-19-11(15)9-4-5-17-12(9)20-14;1-2-5-3-4-5/h4-6,8H,1-3H3,(H,16,23)(H4,15,17,18,19,20);5H,2-4H2,1H3
InChIKeyCYBKRQFJYPQMBD-UHFFFAOYSA-N
MW384.49 g/mol
LogP2.90
Rot. Bonds5

About 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane

2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane (PubChem CID 145336753) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane.

Molecular Properties

Compound Name2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane
PubChem CID145336753
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane
SMILESCCC1CC1.CNC(=O)C(C)n1cc(Nc2nc(N)c3cc[nH]c3n2)c(C)n1
InChIInChI=1S/C14H18N8O.C5H10/c1-7-10(6-22(21-7)8(2)13(23)16-3)18-14-19-11(15)9-4-5-17-12(9)20-14;1-2-5-3-4-5/h4-6,8H,1-3H3,(H,16,23)(H4,15,17,18,19,20);5H,2-4H2,1H3
InChIKeyCYBKRQFJYPQMBD-UHFFFAOYSA-N
XLogP2.90
TPSA126.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane?
The IUPAC name of 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane (CID 145336753) is 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane.
What is the SMILES notation for 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane?
The canonical SMILES for 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane is CCC1CC1.CNC(=O)C(C)n1cc(Nc2nc(N)c3cc[nH]c3n2)c(C)n1.
What is the InChIKey of 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane?
The InChIKey is CYBKRQFJYPQMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O.C5H10/c1-7-10(6-22(21-7)8(2)13(23)16-3)18-14-19-11(15)9-4-5-17-12(9)20-14;1-2-5-3-4-5/h4-6,8H,1-3H3,(H,16,23)(H4,15,17,18,19,20);5H,2-4H2,1H3.
What are the key properties of 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane?
2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane has a molecular weight of 384.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane is sourced from PubChem (CID 145336753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).