2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H34F2N8O3 — CID 146580555

IUPAC2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(F)C(N2CCC(C(=O)N3CCOCC3)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C24H34F2N8O3/c1-2-31-13-17(26)20(32-5-3-15(4-6-32)24(36)33-7-9-37-10-8-33)18(14-31)29-23(35)19-21(27)30-34-12-16(25)11-28-22(19)34/h11-12,15,17-18,20H,2-10,13-14H2,1H3,(H2,27,30)(H,29,35)
InChIKeyIYJHYYRXVOWLHR-UHFFFAOYSA-N
MW520.59 g/mol
LogP0.16
Rot. Bonds5

About 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146580555) has the molecular formula C24H34F2N8O3 and a molecular weight of 520.59 g/mol. Its IUPAC name is 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146580555
Molecular FormulaC24H34F2N8O3
Molecular Weight520.59 g/mol
Exact Mass520.27
IUPAC Name2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(F)C(N2CCC(C(=O)N3CCOCC3)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C24H34F2N8O3/c1-2-31-13-17(26)20(32-5-3-15(4-6-32)24(36)33-7-9-37-10-8-33)18(14-31)29-23(35)19-21(27)30-34-12-16(25)11-28-22(19)34/h11-12,15,17-18,20H,2-10,13-14H2,1H3,(H2,27,30)(H,29,35)
InChIKeyIYJHYYRXVOWLHR-UHFFFAOYSA-N
XLogP0.16
TPSA121.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146580555) is 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CC(F)C(N2CCC(C(=O)N3CCOCC3)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1.
What is the InChIKey of 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IYJHYYRXVOWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N8O3/c1-2-31-13-17(26)20(32-5-3-15(4-6-32)24(36)33-7-9-37-10-8-33)18(14-31)29-23(35)19-21(27)30-34-12-16(25)11-28-22(19)34/h11-12,15,17-18,20H,2-10,13-14H2,1H3,(H2,27,30)(H,29,35).
What are the key properties of 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146580555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).