2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H19F2N5O2 — CID 53385940

IUPAC2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C17H19F2N5O2/c1-9(16(26)24-5-4-17(18,19)8-24)22-15(25)11-6-20-14-13(11)23-12(7-21-14)10-2-3-10/h6-7,9-10H,2-5,8H2,1H3,(H,20,21)(H,22,25)/t9-/m1/s1
InChIKeyUYFBEWMBZAAQKC-SECBINFHSA-N
MW363.37 g/mol
LogP1.82
Rot. Bonds4

About 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 53385940) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID53385940
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC Name2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C17H19F2N5O2/c1-9(16(26)24-5-4-17(18,19)8-24)22-15(25)11-6-20-14-13(11)23-12(7-21-14)10-2-3-10/h6-7,9-10H,2-5,8H2,1H3,(H,20,21)(H,22,25)/t9-/m1/s1
InChIKeyUYFBEWMBZAAQKC-SECBINFHSA-N
XLogP1.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 53385940) is 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CCC(F)(F)C1.
What is the InChIKey of 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is UYFBEWMBZAAQKC-SECBINFHSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c1-9(16(26)24-5-4-17(18,19)8-24)22-15(25)11-6-20-14-13(11)23-12(7-21-14)10-2-3-10/h6-7,9-10H,2-5,8H2,1H3,(H,20,21)(H,22,25)/t9-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 53385940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).