6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide

C26H30F2N6O4 — CID 130248572

IUPAC6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(CN)Oc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)F)n2c1
InChIInChI=1S/C26H30F2N6O4/c1-25(2,13-29)38-15-5-6-18-19(33-22(20(27)28)34(18)12-15)23(36)32-14-8-26(9-14)10-16(11-26)37-24-17(21(30)35)4-3-7-31-24/h3-7,12,14,16,20H,8-11,13,29H2,1-2H3,(H2,30,35)(H,32,36)
InChIKeyVSTHWBNFENTRJE-UHFFFAOYSA-N
MW528.56 g/mol
LogP3.00
Rot. Bonds9

About 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide

6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 130248572) has the molecular formula C26H30F2N6O4 and a molecular weight of 528.56 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID130248572
Molecular FormulaC26H30F2N6O4
Molecular Weight528.56 g/mol
Exact Mass528.23
IUPAC Name6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(CN)Oc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)F)n2c1
InChIInChI=1S/C26H30F2N6O4/c1-25(2,13-29)38-15-5-6-18-19(33-22(20(27)28)34(18)12-15)23(36)32-14-8-26(9-14)10-16(11-26)37-24-17(21(30)35)4-3-7-31-24/h3-7,12,14,16,20H,8-11,13,29H2,1-2H3,(H2,30,35)(H,32,36)
InChIKeyVSTHWBNFENTRJE-UHFFFAOYSA-N
XLogP3.00
TPSA146.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.56
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 130248572) is 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide is CC(C)(CN)Oc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)F)n2c1.
What is the InChIKey of 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is VSTHWBNFENTRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O4/c1-25(2,13-29)38-15-5-6-18-19(33-22(20(27)28)34(18)12-15)23(36)32-14-8-26(9-14)10-16(11-26)37-24-17(21(30)35)4-3-7-31-24/h3-7,12,14,16,20H,8-11,13,29H2,1-2H3,(H2,30,35)(H,32,36).
What are the key properties of 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropan-2-yl)oxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 130248572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).