N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H28F2N8O2 — CID 137213517

IUPACN-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCN(C2C(F)CNCC2NC(=O)c2c(N)nn3c2NCC(F)C3)CC1
InChIInChI=1S/C18H28F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h11-13,15,22-23H,2-9H2,1H3,(H2,21,25)(H,24,30)
InChIKeyDOYULUJEBLNKSA-UHFFFAOYSA-N
MW426.47 g/mol
LogP-1.20
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137213517) has the molecular formula C18H28F2N8O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137213517
Molecular FormulaC18H28F2N8O2
Molecular Weight426.47 g/mol
Exact Mass426.23
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCN(C2C(F)CNCC2NC(=O)c2c(N)nn3c2NCC(F)C3)CC1
InChIInChI=1S/C18H28F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h11-13,15,22-23H,2-9H2,1H3,(H2,21,25)(H,24,30)
InChIKeyDOYULUJEBLNKSA-UHFFFAOYSA-N
XLogP-1.20
TPSA120.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137213517) is N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)N1CCN(C2C(F)CNCC2NC(=O)c2c(N)nn3c2NCC(F)C3)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DOYULUJEBLNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h11-13,15,22-23H,2-9H2,1H3,(H2,21,25)(H,24,30).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of -1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)-5-fluoropiperidin-3-yl]-2-amino-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137213517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).