N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide

C26H48FN7O2 — CID 123359879

IUPACN-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide
SMILESCC(C)C1=NC(N)C(C(=O)NC2CNCCC2N2CCN3CCOCC3C2)C(C)N(C)CC(F)CC1
InChIInChI=1S/C26H48FN7O2/c1-17(2)21-6-5-19(27)14-32(4)18(3)24(25(28)30-21)26(35)31-22-13-29-8-7-23(22)34-10-9-33-11-12-36-16-20(33)15-34/h17-20,22-25,29H,5-16,28H2,1-4H3,(H,31,35)
InChIKeyAKLRNTRLLNARDZ-UHFFFAOYSA-N
MW509.72 g/mol
LogP0.30
Rot. Bonds4

About N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide

N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide (PubChem CID 123359879) has the molecular formula C26H48FN7O2 and a molecular weight of 509.72 g/mol. Its IUPAC name is N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide
PubChem CID123359879
Molecular FormulaC26H48FN7O2
Molecular Weight509.72 g/mol
Exact Mass509.39
IUPAC NameN-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide
SMILESCC(C)C1=NC(N)C(C(=O)NC2CNCCC2N2CCN3CCOCC3C2)C(C)N(C)CC(F)CC1
InChIInChI=1S/C26H48FN7O2/c1-17(2)21-6-5-19(27)14-32(4)18(3)24(25(28)30-21)26(35)31-22-13-29-8-7-23(22)34-10-9-33-11-12-36-16-20(33)15-34/h17-20,22-25,29H,5-16,28H2,1-4H3,(H,31,35)
InChIKeyAKLRNTRLLNARDZ-UHFFFAOYSA-N
XLogP0.30
TPSA98.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.72
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide?
The IUPAC name of N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide (CID 123359879) is N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide?
The canonical SMILES for N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide is CC(C)C1=NC(N)C(C(=O)NC2CNCCC2N2CCN3CCOCC3C2)C(C)N(C)CC(F)CC1.
What is the InChIKey of N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide?
The InChIKey is AKLRNTRLLNARDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48FN7O2/c1-17(2)21-6-5-19(27)14-32(4)18(3)24(25(28)30-21)26(35)31-22-13-29-8-7-23(22)34-10-9-33-11-12-36-16-20(33)15-34/h17-20,22-25,29H,5-16,28H2,1-4H3,(H,31,35).
What are the key properties of N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide?
N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide has a molecular weight of 509.72 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-3-yl]-2-amino-7-fluoro-4,5-dimethyl-10-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-1,5-diazecine-3-carboxamide is sourced from PubChem (CID 123359879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).