N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H23FN6O2 — CID 118115819

IUPACN-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NC4CC(F)C4)c3n2)CC1
InChIInChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28)
InChIKeyHZWPYHAPLGESAL-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.78
Rot. Bonds5

About N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118115819) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118115819
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC NameN-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NC4CC(F)C4)c3n2)CC1
InChIInChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28)
InChIKeyHZWPYHAPLGESAL-UHFFFAOYSA-N
XLogP1.78
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118115819) is N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NC4CC(F)C4)c3n2)CC1.
What is the InChIKey of N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HZWPYHAPLGESAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-2-16(27)26-5-3-12(4-6-26)23-15-10-22-18-17(25-15)14(9-21-18)19(28)24-13-7-11(20)8-13/h2,9-13H,1,3-8H2,(H,21,22)(H,23,25)(H,24,28).
What are the key properties of N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118115819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).